N-[1-(4-chlorophenyl)propyl]cycloheptanamine

C16H24ClN — CID 43109081

IUPACN-[1-(4-chlorophenyl)propyl]cycloheptanamine
SMILESCCC(NC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-2-16(13-9-11-14(17)12-10-13)18-15-7-5-3-4-6-8-15/h9-12,15-16,18H,2-8H2,1H3
InChIKeyQCFHVEIOHYJPKF-UHFFFAOYSA-N
MW265.83 g/mol
LogP5.10
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]cycloheptanamine

N-[1-(4-chlorophenyl)propyl]cycloheptanamine (PubChem CID 43109081) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]cycloheptanamine
PubChem CID43109081
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(4-chlorophenyl)propyl]cycloheptanamine
SMILESCCC(NC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN/c1-2-16(13-9-11-14(17)12-10-13)18-15-7-5-3-4-6-8-15/h9-12,15-16,18H,2-8H2,1H3
InChIKeyQCFHVEIOHYJPKF-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
CID 117067004
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111
3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
CID 43751031
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43434325
N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 86779499
N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine
CID 50878178

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]cycloheptanamine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]cycloheptanamine (CID 43109081) is N-[1-(4-chlorophenyl)propyl]cycloheptanamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]cycloheptanamine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]cycloheptanamine is CCC(NC1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]cycloheptanamine?
The InChIKey is QCFHVEIOHYJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-16(13-9-11-14(17)12-10-13)18-15-7-5-3-4-6-8-15/h9-12,15-16,18H,2-8H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]cycloheptanamine?
N-[1-(4-chlorophenyl)propyl]cycloheptanamine has a molecular weight of 265.83 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]cycloheptanamine is sourced from PubChem (CID 43109081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).