N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine

C17H18ClN — CID 115328414

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
SMILESC=C(CN[C@H](C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClN/c1-13(15-6-4-3-5-7-15)12-19-14(2)16-8-10-17(18)11-9-16/h3-11,14,19H,1,12H2,2H3/t14-/m1/s1
InChIKeyXVRQIUIXIAUNQX-CQSZACIVSA-N
MW271.79 g/mol
LogP4.70
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine (PubChem CID 115328414) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
PubChem CID115328414
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
SMILESC=C(CN[C@H](C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClN/c1-13(15-6-4-3-5-7-15)12-19-14(2)16-8-10-17(18)11-9-16/h3-11,14,19H,1,12H2,2H3/t14-/m1/s1
InChIKeyXVRQIUIXIAUNQX-CQSZACIVSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
N-[1-(4-chlorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340706
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine
CID 113288104
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine (CID 115328414) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine is C=C(CN[C@H](C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
The InChIKey is XVRQIUIXIAUNQX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClN/c1-13(15-6-4-3-5-7-15)12-19-14(2)16-8-10-17(18)11-9-16/h3-11,14,19H,1,12H2,2H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine has a molecular weight of 271.79 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 115328414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).