[2-(2,4-dimethylphenyl)cycloheptyl]methanamine

C16H25N — CID 81011171

IUPAC[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
SMILESCc1ccc(C2CCCCCC2CN)c(C)c1
InChIInChI=1S/C16H25N/c1-12-8-9-15(13(2)10-12)16-7-5-3-4-6-14(16)11-17/h8-10,14,16H,3-7,11,17H2,1-2H3
InChIKeyKGDMWFRXNUDVBT-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.93
Rot. Bonds2

About [2-(2,4-dimethylphenyl)cycloheptyl]methanamine

[2-(2,4-dimethylphenyl)cycloheptyl]methanamine (PubChem CID 81011171) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
PubChem CID81011171
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
SMILESCc1ccc(C2CCCCCC2CN)c(C)c1
InChIInChI=1S/C16H25N/c1-12-8-9-15(13(2)10-12)16-7-5-3-4-6-14(16)11-17/h8-10,14,16H,3-7,11,17H2,1-2H3
InChIKeyKGDMWFRXNUDVBT-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
CID 81011067
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
CID 82946852
1-(2-bromocyclopropyl)-2,4-dimethylbenzene
CID 130539902
[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
CID 81328814
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
CID 107561109

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(2,4-dimethylphenyl)cycloheptyl]methanamine (CID 81011171) is [2-(2,4-dimethylphenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2,4-dimethylphenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(2,4-dimethylphenyl)cycloheptyl]methanamine is Cc1ccc(C2CCCCCC2CN)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)cycloheptyl]methanamine?
The InChIKey is KGDMWFRXNUDVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-9-15(13(2)10-12)16-7-5-3-4-6-14(16)11-17/h8-10,14,16H,3-7,11,17H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)cycloheptyl]methanamine?
[2-(2,4-dimethylphenyl)cycloheptyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 81011171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).