(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine

C17H19Cl2N — CID 97292301

IUPAC(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
SMILESCN(C[C@@H](Cl)c1ccccc1)C[C@@H](Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-20(12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyZZQNXTUQHKCPFK-IAGOWNOFSA-N
MW308.25 g/mol
LogP4.88
Rot. Bonds6

About (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine

(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine (PubChem CID 97292301) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
PubChem CID97292301
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
SMILESCN(C[C@@H](Cl)c1ccccc1)C[C@@H](Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-20(12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyZZQNXTUQHKCPFK-IAGOWNOFSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.88
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

(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
CID 92858642
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
(1-chloro-7-methyloctyl)benzene
CID 83169221
N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide
CID 132851184
3-[[2-chloro-2-(4-fluorophenyl)ethyl]-methylamino]propanoic acid
CID 82214526
(4-chloro-2-methyl-4-phenylbutan-2-yl)silane
CID 173111800
4-chloro-2-methyl-4-phenylbutan-2-ol
CID 174946431
4-[1-chloro-2-(dimethylamino)ethyl]-N,N-dimethylaniline
CID 82215480
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
1,5-dichloro-1,5-diphenylpentan-3-amine
CID 21153300
N-[2-(3-bromophenyl)-2-chloroethyl]-N-methylbutan-1-amine
CID 82215317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine?
The IUPAC name of (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine (CID 97292301) is (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine is CN(C[C@@H](Cl)c1ccccc1)C[C@@H](Cl)c1ccccc1.
What is the InChIKey of (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine?
The InChIKey is ZZQNXTUQHKCPFK-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-20(12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine?
(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine has a molecular weight of 308.25 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 97292301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).