N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine

C12H19ClN2 — CID 60888732

IUPACN'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
SMILESCCCC(NCCN)c1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2/c1-2-3-12(15-9-8-14)10-4-6-11(13)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3
InChIKeyXNBURXQUKHWHDI-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.73
Rot. Bonds6

About N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine

N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine (PubChem CID 60888732) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
PubChem CID60888732
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
SMILESCCCC(NCCN)c1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2/c1-2-3-12(15-9-8-14)10-4-6-11(13)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3
InChIKeyXNBURXQUKHWHDI-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
CID 103901960
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
CID 103776590
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine (CID 60888732) is N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine is CCCC(NCCN)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine?
The InChIKey is XNBURXQUKHWHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-2-3-12(15-9-8-14)10-4-6-11(13)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3.
What are the key properties of N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine?
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine is sourced from PubChem (CID 60888732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).