(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine

C11H16ClN — CID 141341786

IUPAC(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
SMILESCN(C)[C@@H](CCCl)c1ccccc1
InChIInChI=1S/C11H16ClN/c1-13(2)11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyFTVIEARZIYADAU-NSHDSACASA-N
MW197.71 g/mol
LogP2.92
Rot. Bonds4

About (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine

(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine (PubChem CID 141341786) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
PubChem CID141341786
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
SMILESCN(C)[C@@H](CCCl)c1ccccc1
InChIInChI=1S/C11H16ClN/c1-13(2)11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyFTVIEARZIYADAU-NSHDSACASA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.92
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

1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907526
1-(4-butan-2-ylphenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907542
3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 116907540
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
2-chloro-N,N-dimethyl-1-(4-phenylphenyl)ethanamine
CID 116907421
4-chlorobutan-2-ylbenzene
CID 570466

Frequently Asked Questions

What is the IUPAC name of (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine (CID 141341786) is (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine is CN(C)[C@@H](CCCl)c1ccccc1.
What is the InChIKey of (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine?
The InChIKey is FTVIEARZIYADAU-NSHDSACASA-N. The full InChI is InChI=1S/C11H16ClN/c1-13(2)11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine?
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 141341786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).