4-(4-chlorophenyl)heptan-1-amine

C13H20ClN — CID 83931131

IUPAC4-(4-chlorophenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-2-4-11(5-3-10-15)12-6-8-13(14)9-7-12/h6-9,11H,2-5,10,15H2,1H3
InChIKeyTUNBPJNIIPBPOQ-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.96
Rot. Bonds6

About 4-(4-chlorophenyl)heptan-1-amine

4-(4-chlorophenyl)heptan-1-amine (PubChem CID 83931131) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)heptan-1-amine
PubChem CID83931131
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name4-(4-chlorophenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-2-4-11(5-3-10-15)12-6-8-13(14)9-7-12/h6-9,11H,2-5,10,15H2,1H3
InChIKeyTUNBPJNIIPBPOQ-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-propylphenyl)heptan-1-amine
CID 83921500
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
1-chloro-4-(1-chloropentan-2-yl)benzene
CID 79019451
4-(4-methylsulfonylphenyl)heptan-1-amine
CID 83926289
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
4-(4-methylphenyl)hexan-1-amine
CID 83930823
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
3-(1-aminoheptan-4-yl)phenol
CID 83930253
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)heptan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)heptan-1-amine (CID 83931131) is 4-(4-chlorophenyl)heptan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)heptan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)heptan-1-amine is CCCC(CCCN)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)heptan-1-amine?
The InChIKey is TUNBPJNIIPBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-2-4-11(5-3-10-15)12-6-8-13(14)9-7-12/h6-9,11H,2-5,10,15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)heptan-1-amine?
4-(4-chlorophenyl)heptan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)heptan-1-amine is sourced from PubChem (CID 83931131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).