N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine

C19H24ClN — CID 81350091

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN/c1-4-15-6-8-17(9-7-15)19(5-2)21-14(3)16-10-12-18(20)13-11-16/h6-14,19,21H,4-5H2,1-3H3/t14-,19?/m0/s1
InChIKeyQTFNWPXFYUIAHZ-KTQQKIMGSA-N
MW301.86 g/mol
LogP5.70
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine (PubChem CID 81350091) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
PubChem CID81350091
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN/c1-4-15-6-8-17(9-7-15)19(5-2)21-14(3)16-10-12-18(20)13-11-16/h6-14,19,21H,4-5H2,1-3H3/t14-,19?/m0/s1
InChIKeyQTFNWPXFYUIAHZ-KTQQKIMGSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine (CID 81350091) is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(CC)N[C@@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is QTFNWPXFYUIAHZ-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-15-6-8-17(9-7-15)19(5-2)21-14(3)16-10-12-18(20)13-11-16/h6-14,19,21H,4-5H2,1-3H3/t14-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 81350091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).