N-[(4-chlorophenyl)methyl]hexan-3-amine

C13H20ClN — CID 62118720

IUPACN-[(4-chlorophenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-3-5-13(4-2)15-10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyCPKLPTDNLXGGQX-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.01
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]hexan-3-amine

N-[(4-chlorophenyl)methyl]hexan-3-amine (PubChem CID 62118720) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]hexan-3-amine
PubChem CID62118720
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(4-chlorophenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-3-5-13(4-2)15-10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyCPKLPTDNLXGGQX-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027152
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]hexan-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]hexan-3-amine (CID 62118720) is N-[(4-chlorophenyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]hexan-3-amine is CCCC(CC)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]hexan-3-amine?
The InChIKey is CPKLPTDNLXGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-3-5-13(4-2)15-10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]hexan-3-amine?
N-[(4-chlorophenyl)methyl]hexan-3-amine has a molecular weight of 225.76 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]hexan-3-amine is sourced from PubChem (CID 62118720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).