1-chloro-N-(2-phenylethyl)propan-2-amine

C11H16ClN — CID 65025735

IUPAC1-chloro-N-(2-phenylethyl)propan-2-amine
SMILESCC(CCl)NCCc1ccccc1
InChIInChI=1S/C11H16ClN/c1-10(9-12)13-8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyFOFMZQFLUZRPIL-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.45
Rot. Bonds5

About 1-chloro-N-(2-phenylethyl)propan-2-amine

1-chloro-N-(2-phenylethyl)propan-2-amine (PubChem CID 65025735) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-chloro-N-(2-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2-phenylethyl)propan-2-amine
PubChem CID65025735
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-chloro-N-(2-phenylethyl)propan-2-amine
SMILESCC(CCl)NCCc1ccccc1
InChIInChI=1S/C11H16ClN/c1-10(9-12)13-8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyFOFMZQFLUZRPIL-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
3-(2-phenylethylamino)butanethioamide
CID 112508005
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-phenylethyl)propan-2-amine?
The IUPAC name of 1-chloro-N-(2-phenylethyl)propan-2-amine (CID 65025735) is 1-chloro-N-(2-phenylethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N-(2-phenylethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N-(2-phenylethyl)propan-2-amine is CC(CCl)NCCc1ccccc1.
What is the InChIKey of 1-chloro-N-(2-phenylethyl)propan-2-amine?
The InChIKey is FOFMZQFLUZRPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-10(9-12)13-8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of 1-chloro-N-(2-phenylethyl)propan-2-amine?
1-chloro-N-(2-phenylethyl)propan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-phenylethyl)propan-2-amine is sourced from PubChem (CID 65025735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).