4-(3-chlorophenyl)heptane-1,7-diamine

C13H21ClN2 — CID 170878710

IUPAC4-(3-chlorophenyl)heptane-1,7-diamine
SMILESNCCCC(CCCN)c1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2/c14-13-7-1-4-12(10-13)11(5-2-8-15)6-3-9-16/h1,4,7,10-11H,2-3,5-6,8-9,15-16H2
InChIKeyWMBYLKKHHODIPH-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.90
Rot. Bonds7

About 4-(3-chlorophenyl)heptane-1,7-diamine

4-(3-chlorophenyl)heptane-1,7-diamine (PubChem CID 170878710) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)heptane-1,7-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)heptane-1,7-diamine
PubChem CID170878710
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name4-(3-chlorophenyl)heptane-1,7-diamine
SMILESNCCCC(CCCN)c1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2/c14-13-7-1-4-12(10-13)11(5-2-8-15)6-3-9-16/h1,4,7,10-11H,2-3,5-6,8-9,15-16H2
InChIKeyWMBYLKKHHODIPH-UHFFFAOYSA-N
XLogP2.90
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
3-(1-aminoheptan-4-yl)phenol
CID 83930253
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)heptane-1,7-diamine?
The IUPAC name of 4-(3-chlorophenyl)heptane-1,7-diamine (CID 170878710) is 4-(3-chlorophenyl)heptane-1,7-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)heptane-1,7-diamine?
The canonical SMILES for 4-(3-chlorophenyl)heptane-1,7-diamine is NCCCC(CCCN)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)heptane-1,7-diamine?
The InChIKey is WMBYLKKHHODIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c14-13-7-1-4-12(10-13)11(5-2-8-15)6-3-9-16/h1,4,7,10-11H,2-3,5-6,8-9,15-16H2.
What are the key properties of 4-(3-chlorophenyl)heptane-1,7-diamine?
4-(3-chlorophenyl)heptane-1,7-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)heptane-1,7-diamine is sourced from PubChem (CID 170878710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).