3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine

C17H20ClN — CID 95168121

IUPAC3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-14(15-8-3-2-4-9-15)19-13-7-11-16-10-5-6-12-17(16)18/h2-6,8-10,12,14,19H,7,11,13H2,1H3/t14-/m1/s1
InChIKeyWDMUAHNIKXPANJ-CQSZACIVSA-N
MW273.81 g/mol
LogP4.62
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine

3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine (PubChem CID 95168121) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
PubChem CID95168121
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-14(15-8-3-2-4-9-15)19-13-7-11-16-10-5-6-12-17(16)18/h2-6,8-10,12,14,19H,7,11,13H2,1H3/t14-/m1/s1
InChIKeyWDMUAHNIKXPANJ-CQSZACIVSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
CID 115676904
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine (CID 95168121) is 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine is C[C@@H](NCCCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
The InChIKey is WDMUAHNIKXPANJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClN/c1-14(15-8-3-2-4-9-15)19-13-7-11-16-10-5-6-12-17(16)18/h2-6,8-10,12,14,19H,7,11,13H2,1H3/t14-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 95168121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).