2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine

C16H18ClN — CID 116907421

IUPAC2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine
SMILESCN(C)C(CCl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18ClN/c1-18(2)16(12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKeyRDZCUKYTFXXALE-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine

2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine (PubChem CID 116907421) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine
PubChem CID116907421
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine
SMILESCN(C)C(CCl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18ClN/c1-18(2)16(12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKeyRDZCUKYTFXXALE-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.20
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

3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486
(2R)-N,N-dimethyl-2-(4-phenylphenyl)propan-1-amine
CID 97356699
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116908630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine?
The IUPAC name of 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine (CID 116907421) is 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine?
The canonical SMILES for 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine is CN(C)C(CCl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine?
The InChIKey is RDZCUKYTFXXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-18(2)16(12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine?
2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine is sourced from PubChem (CID 116907421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).