N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine

C16H24ClN — CID 79860721

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCC1(C)C
InChIInChI=1S/C16H24ClN/c1-12(10-13-6-4-7-14(17)11-13)18-15-8-5-9-16(15,2)3/h4,6-7,11-12,15,18H,5,8-10H2,1-3H3
InChIKeyLJKBNUOHTDEZCO-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine

N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860721) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79860721
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCC1(C)C
InChIInChI=1S/C16H24ClN/c1-12(10-13-6-4-7-14(17)11-13)18-15-8-5-9-16(15,2)3/h4,6-7,11-12,15,18H,5,8-10H2,1-3H3
InChIKeyLJKBNUOHTDEZCO-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
CID 43694786
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
[2-(3-chlorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193281
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79859791
2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
CID 79856875

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine (CID 79860721) is N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine is CC(Cc1cccc(Cl)c1)NC1CCCC1(C)C.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is LJKBNUOHTDEZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(10-13-6-4-7-14(17)11-13)18-15-8-5-9-16(15,2)3/h4,6-7,11-12,15,18H,5,8-10H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).