N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine

C16H25N — CID 107417631

IUPACN-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCc1cc(C)cc(CNCC2CCCC2C)c1
InChIInChI=1S/C16H25N/c1-12-7-13(2)9-15(8-12)10-17-11-16-6-4-5-14(16)3/h7-9,14,16-17H,4-6,10-11H2,1-3H3
InChIKeyRHSSPENRJPKARL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.83
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine

N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine (PubChem CID 107417631) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
PubChem CID107417631
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCc1cc(C)cc(CNCC2CCCC2C)c1
InChIInChI=1S/C16H25N/c1-12-7-13(2)9-15(8-12)10-17-11-16-6-4-5-14(16)3/h7-9,14,16-17H,4-6,10-11H2,1-3H3
InChIKeyRHSSPENRJPKARL-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
1-(2-methylcyclopentyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107417225
1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine (CID 107417631) is N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine is Cc1cc(C)cc(CNCC2CCCC2C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The InChIKey is RHSSPENRJPKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-13(2)9-15(8-12)10-17-11-16-6-4-5-14(16)3/h7-9,14,16-17H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107417631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).