1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C15H22FN — CID 115852569

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1ccc(F)cc1C)C1(C)CCCC1
InChIInChI=1S/C15H22FN/c1-11-10-12(16)6-7-13(11)14(17-3)15(2)8-4-5-9-15/h6-7,10,14,17H,4-5,8-9H2,1-3H3
InChIKeyGCPZZRPBUSDESV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.97
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 115852569) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID115852569
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1ccc(F)cc1C)C1(C)CCCC1
InChIInChI=1S/C15H22FN/c1-11-10-12(16)6-7-13(11)14(17-3)15(2)8-4-5-9-15/h6-7,10,14,17H,4-5,8-9H2,1-3H3
InChIKeyGCPZZRPBUSDESV-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830046
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105278412
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830774
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106878275

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 115852569) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CNC(c1ccc(F)cc1C)C1(C)CCCC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is GCPZZRPBUSDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-10-12(16)6-7-13(11)14(17-3)15(2)8-4-5-9-15/h6-7,10,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 115852569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).