N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine

C16H24ClN — CID 43677619

IUPACN-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
SMILESCC(Cc1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C16H24ClN/c1-13(12-14-8-10-15(17)11-9-14)18-16-6-4-2-3-5-7-16/h8-11,13,16,18H,2-7,12H2,1H3
InChIKeyJUMTZJWRJOWYHI-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.58
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine

N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine (PubChem CID 43677619) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
PubChem CID43677619
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
SMILESCC(Cc1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C16H24ClN/c1-13(12-14-8-10-15(17)11-9-14)18-16-6-4-2-3-5-7-16/h8-11,13,16,18H,2-7,12H2,1H3
InChIKeyJUMTZJWRJOWYHI-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262683
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
CID 79942170
4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
CID 82350551

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine (CID 43677619) is N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine is CC(Cc1ccc(Cl)cc1)NC1CCCCCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine?
The InChIKey is JUMTZJWRJOWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-13(12-14-8-10-15(17)11-9-14)18-16-6-4-2-3-5-7-16/h8-11,13,16,18H,2-7,12H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine?
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine has a molecular weight of 265.83 g/mol, XLogP of 4.58, 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)propan-2-yl]cycloheptanamine is sourced from PubChem (CID 43677619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).