N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine

C16H25N — CID 79861534

IUPACN-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1ccc(CNC2CCCC2(C)C)c(C)c1
InChIInChI=1S/C16H25N/c1-12-7-8-14(13(2)10-12)11-17-15-6-5-9-16(15,3)4/h7-8,10,15,17H,5-6,9,11H2,1-4H3
InChIKeyHLMLNZGSRORCFV-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861534) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861534
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1ccc(CNC2CCCC2(C)C)c(C)c1
InChIInChI=1S/C16H25N/c1-12-7-8-14(13(2)10-12)11-17-15-6-5-9-16(15,3)4/h7-8,10,15,17H,5-6,9,11H2,1-4H3
InChIKeyHLMLNZGSRORCFV-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 ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 79861537
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 79861658
4-[[(2,2-dimethylcyclohexyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482995
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79860027
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79861227
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79861534) is N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine is Cc1ccc(CNC2CCCC2(C)C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is HLMLNZGSRORCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-8-14(13(2)10-12)11-17-15-6-5-9-16(15,3)4/h7-8,10,15,17H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 231.38 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 N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).