1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine

C18H21Cl2N — CID 43106646

IUPAC1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
SMILESCCCC(NC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-4-18(15-7-11-17(20)12-8-15)21-13(2)14-5-9-16(19)10-6-14/h5-13,18,21H,3-4H2,1-2H3
InChIKeyCFGHKVUEDNUEOB-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.19
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine

1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine (PubChem CID 43106646) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
PubChem CID43106646
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
SMILESCCCC(NC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-4-18(15-7-11-17(20)12-8-15)21-13(2)14-5-9-16(19)10-6-14/h5-13,18,21H,3-4H2,1-2H3
InChIKeyCFGHKVUEDNUEOB-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
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
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
CID 106348706
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
N-[1-(4-chlorophenyl)ethyl]hex-1-yn-3-amine
CID 103520524
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine (CID 43106646) is 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine is CCCC(NC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine?
The InChIKey is CFGHKVUEDNUEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-4-18(15-7-11-17(20)12-8-15)21-13(2)14-5-9-16(19)10-6-14/h5-13,18,21H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine?
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine is sourced from PubChem (CID 43106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).