1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine

C18H19Cl2N — CID 53316823

IUPAC1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1
InChIKeyNDCNHLIWHOBKGK-MLGOLLRUSA-N
MW320.26 g/mol
LogP4.91
Rot. Bonds3

About 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine

1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine (PubChem CID 53316823) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine
PubChem CID53316823
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1
InChIKeyNDCNHLIWHOBKGK-MLGOLLRUSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine (CID 53316823) is 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine is CNC[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine?
The InChIKey is NDCNHLIWHOBKGK-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1.
What are the key properties of 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine?
1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine has a molecular weight of 320.26 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 53316823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).