(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine

C22H22ClN — CID 92858642

IUPAC(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
SMILESCl[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22ClN/c23-22(21-14-8-3-9-15-21)18-24(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22H,16-18H2/t22-/m0/s1
InChIKeyCZYWRRVFNCAJKT-QFIPXVFZSA-N
MW335.88 g/mol
LogP5.67
Rot. Bonds7

About (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine

(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine (PubChem CID 92858642) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
PubChem CID92858642
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
SMILESCl[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22ClN/c23-22(21-14-8-3-9-15-21)18-24(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22H,16-18H2/t22-/m0/s1
InChIKeyCZYWRRVFNCAJKT-QFIPXVFZSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(dibenzylamino)-1-phenylethanethiol
CID 134972021
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
CID 30741988
(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
CID 97292301
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
methyl (2R)-2-chloro-3-(dibenzylamino)propanoate
CID 11709488
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine?
The IUPAC name of (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine (CID 92858642) is (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine.
What is the SMILES notation for (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine?
The canonical SMILES for (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine is Cl[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine?
The InChIKey is CZYWRRVFNCAJKT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22ClN/c23-22(21-14-8-3-9-15-21)18-24(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22H,16-18H2/t22-/m0/s1.
What are the key properties of (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine?
(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine has a molecular weight of 335.88 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine is sourced from PubChem (CID 92858642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).