(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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Related Compounds

1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 69260983
(3R)-3-(benzotriazol-2-yl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 66677303
N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627
5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
CID 70196534
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088597
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
CID 63435816
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537

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).