(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine

C20H20ClN — CID 54381200

IUPAC(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
SMILESC[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN/c1-14(17-9-5-10-18(21)13-17)22-15(2)19-12-6-8-16-7-3-4-11-20(16)19/h3-15,22H,1-2H3/t14-,15-/m1/s1
InChIKeyVAAFMPVXZPPFTE-HUUCEWRRSA-N
MW309.84 g/mol
LogP5.91
Rot. Bonds4

About (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine (PubChem CID 54381200) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
PubChem CID54381200
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
SMILESC[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN/c1-14(17-9-5-10-18(21)13-17)22-15(2)19-12-6-8-16-7-3-4-11-20(16)19/h3-15,22H,1-2H3/t14-,15-/m1/s1
InChIKeyVAAFMPVXZPPFTE-HUUCEWRRSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
CID 22011088
(1R)-1-(6-methylnaphthalen-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54273414
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine (CID 54381200) is (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine is C[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
The InChIKey is VAAFMPVXZPPFTE-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H20ClN/c1-14(17-9-5-10-18(21)13-17)22-15(2)19-12-6-8-16-7-3-4-11-20(16)19/h3-15,22H,1-2H3/t14-,15-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine has a molecular weight of 309.84 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine is sourced from PubChem (CID 54381200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).