1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine

C15H22ClN — CID 107177171

IUPAC1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)C1CCCC1(C)C
InChIInChI=1S/C15H22ClN/c1-15(2)10-4-5-13(15)14(17-3)11-6-8-12(16)9-7-11/h6-9,13-14,17H,4-5,10H2,1-3H3
InChIKeyPGAAJBPCZRGCNJ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.43
Rot. Bonds3

About 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine

1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine (PubChem CID 107177171) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
PubChem CID107177171
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)C1CCCC1(C)C
InChIInChI=1S/C15H22ClN/c1-15(2)10-4-5-13(15)14(17-3)11-6-8-12(16)9-7-11/h6-9,13-14,17H,4-5,10H2,1-3H3
InChIKeyPGAAJBPCZRGCNJ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107177921
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177185
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 107189170
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177267

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine (CID 107177171) is 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)C1CCCC1(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
The InChIKey is PGAAJBPCZRGCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-15(2)10-4-5-13(15)14(17-3)11-6-8-12(16)9-7-11/h6-9,13-14,17H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 107177171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).