1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine

C14H15ClN2 — CID 170894784

IUPAC1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2/c15-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(17)9-16/h1-8,14H,9,16-17H2
InChIKeyIGMQKWSGUQILJC-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine

1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine (PubChem CID 170894784) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
PubChem CID170894784
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2/c15-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(17)9-16/h1-8,14H,9,16-17H2
InChIKeyIGMQKWSGUQILJC-UHFFFAOYSA-N
XLogP2.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine
CID 170894456
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine
CID 156902220
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine (CID 170894784) is 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine is NCC(N)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine?
The InChIKey is IGMQKWSGUQILJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(17)9-16/h1-8,14H,9,16-17H2.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine?
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine has a molecular weight of 246.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).