(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine

C20H19Cl2N — CID 44569481

IUPAC(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine
SMILESCNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m0/s1
InChIKeyBEJKUIRPKMIZPE-KRWDZBQOSA-N
MW344.29 g/mol
LogP5.89
Rot. Bonds5

About (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine

(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine (PubChem CID 44569481) has the molecular formula C20H19Cl2N and a molecular weight of 344.29 g/mol. Its IUPAC name is (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine
PubChem CID44569481
Molecular FormulaC20H19Cl2N
Molecular Weight344.29 g/mol
Exact Mass343.09
IUPAC Name(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine
SMILESCNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m0/s1
InChIKeyBEJKUIRPKMIZPE-KRWDZBQOSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.29
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine?
The IUPAC name of (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine (CID 44569481) is (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine is CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine?
The InChIKey is BEJKUIRPKMIZPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19Cl2N/c1-23-12-11-17(15-9-10-19(21)20(22)13-15)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,17,23H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine?
(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 44569481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).