2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine

C16H25N — CID 54978274

IUPAC2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H25N/c1-4-17-16-7-5-6-15(16)11-14-9-8-12(2)13(3)10-14/h8-10,15-17H,4-7,11H2,1-3H3
InChIKeyVHYPONOXQQFBTQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.62
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine

2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine (PubChem CID 54978274) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
PubChem CID54978274
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H25N/c1-4-17-16-7-5-6-15(16)11-14-9-8-12(2)13(3)10-14/h8-10,15-17H,4-7,11H2,1-3H3
InChIKeyVHYPONOXQQFBTQ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 55085442
4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
CID 63471978
2-[(3-bromo-4-fluorophenyl)methyl]-N-ethylcycloheptan-1-amine
CID 63403426
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
CID 106469556
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine (CID 54978274) is 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is VHYPONOXQQFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-17-16-7-5-6-15(16)11-14-9-8-12(2)13(3)10-14/h8-10,15-17H,4-7,11H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine?
2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 54978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).