N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine

C17H20ClN — CID 81366125

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(N[C@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-3-17(14-8-5-4-6-9-14)19-13(2)15-10-7-11-16(18)12-15/h4-13,17,19H,3H2,1-2H3/t13-,17?/m1/s1
InChIKeyVHYSXVROSCBYNX-FWJOYPJLSA-N
MW273.81 g/mol
LogP5.14
Rot. Bonds5

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine (PubChem CID 81366125) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
PubChem CID81366125
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(N[C@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-3-17(14-8-5-4-6-9-14)19-13(2)15-10-7-11-16(18)12-15/h4-13,17,19H,3H2,1-2H3/t13-,17?/m1/s1
InChIKeyVHYSXVROSCBYNX-FWJOYPJLSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 81366139
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine (CID 81366125) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine is CCC(N[C@H](C)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is VHYSXVROSCBYNX-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-17(14-8-5-4-6-9-14)19-13(2)15-10-7-11-16(18)12-15/h4-13,17,19H,3H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 81366125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).