1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine

C20H31N — CID 126716182

IUPAC1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CCCC2(C)c3ccc(C(C)C)cc3CCC12
InChIInChI=1S/C20H31N/c1-14(2)15-7-9-18-16(12-15)8-10-19-17(13-21-4)6-5-11-20(18,19)3/h7,9,12,14,17,19,21H,5-6,8,10-11,13H2,1-4H3/t17-,19?,20?/m0/s1
InChIKeyVZLJCLHTKSLMAA-KKXNLOMOSA-N
MW285.48 g/mol
LogP4.65
Rot. Bonds3

About 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine

1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine (PubChem CID 126716182) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine
PubChem CID126716182
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CCCC2(C)c3ccc(C(C)C)cc3CCC12
InChIInChI=1S/C20H31N/c1-14(2)15-7-9-18-16(12-15)8-10-19-17(13-21-4)6-5-11-20(18,19)3/h7,9,12,14,17,19,21H,5-6,8,10-11,13H2,1-4H3/t17-,19?,20?/m0/s1
InChIKeyVZLJCLHTKSLMAA-KKXNLOMOSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene;ethane;ethanol
CID 142551847
1-[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-N-[[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]methanamine
CID 18599438
[(1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylazanium
CID 7067282
[(1R,4aR,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 7067285
(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid
CID 162424073
N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]propan-2-amine;hydrochloride
CID 53400170
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrobromide
CID 170850302
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl-[2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylazaniumyl]ethyl]azanium
CID 25195403
1-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)-N-methylmethanamine;4-fluorophenol;molecular chlorine
CID 161290874
5-[[(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 123611925
(1R,4aS,10aR)-1-(isocyanatomethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 102389447
(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene;propane
CID 159939808

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine (CID 126716182) is 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine is CNC[C@@H]1CCCC2(C)c3ccc(C(C)C)cc3CCC12.
What is the InChIKey of 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine?
The InChIKey is VZLJCLHTKSLMAA-KKXNLOMOSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)15-7-9-18-16(12-15)8-10-19-17(13-21-4)6-5-11-20(18,19)3/h7,9,12,14,17,19,21H,5-6,8,10-11,13H2,1-4H3/t17-,19?,20?/m0/s1.
What are the key properties of 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine?
1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine has a molecular weight of 285.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-N-methylmethanamine is sourced from PubChem (CID 126716182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).