(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine

C19H29NO — CID 155632379

IUPAC(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
SMILESCCN(C)[C@H]1Cc2ccc(OC)cc2[C@]2(C)CCCC[C@H]12
InChIInChI=1S/C19H29NO/c1-5-20(3)18-12-14-9-10-15(21-4)13-17(14)19(2)11-7-6-8-16(18)19/h9-10,13,16,18H,5-8,11-12H2,1-4H3/t16-,18+,19-/m1/s1
InChIKeyBXZCMDMSOUUDCC-NZSAHSFTSA-N
MW287.45 g/mol
LogP4.02
Rot. Bonds3

About (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine

(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine (PubChem CID 155632379) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine.

Molecular Properties

Compound Name(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
PubChem CID155632379
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
SMILESCCN(C)[C@H]1Cc2ccc(OC)cc2[C@]2(C)CCCC[C@H]12
InChIInChI=1S/C19H29NO/c1-5-20(3)18-12-14-9-10-15(21-4)13-17(14)19(2)11-7-6-8-16(18)19/h9-10,13,16,18H,5-8,11-12H2,1-4H3/t16-,18+,19-/m1/s1
InChIKeyBXZCMDMSOUUDCC-NZSAHSFTSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine with MolForge

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Related Compounds

N-[[(4bS,8aS,9S)-3-methoxy-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-yl]methyl]butan-1-amine
CID 167018559
4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine
CID 21410097
(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 170191844
(1R,4aS,10aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene;carbon dioxide
CID 158179701
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1S,13S,14R)-4-methoxy-12-methylpentacyclo[8.8.0.01,14.02,7.09,13]octadeca-2(7),3,5-triene
CID 139385883
17-(cyclopropylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 5126295
5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
CID 70557198
ethyl (1S,9S,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxylate
CID 44537524

Frequently Asked Questions

What is the IUPAC name of (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
The IUPAC name of (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine (CID 155632379) is (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine.
What is the SMILES notation for (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
The canonical SMILES for (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine is CCN(C)[C@H]1Cc2ccc(OC)cc2[C@]2(C)CCCC[C@H]12.
What is the InChIKey of (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
The InChIKey is BXZCMDMSOUUDCC-NZSAHSFTSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-20(3)18-12-14-9-10-15(21-4)13-17(14)19(2)11-7-6-8-16(18)19/h9-10,13,16,18H,5-8,11-12H2,1-4H3/t16-,18+,19-/m1/s1.
What are the key properties of (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine has a molecular weight of 287.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine is sourced from PubChem (CID 155632379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).