N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C16H25N — CID 64907324

IUPACN-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCC(C)C2C)cc1
InChIInChI=1S/C16H25N/c1-4-14-6-8-15(9-7-14)11-17-16-10-5-12(2)13(16)3/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyDFAKNCJLYRURCW-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64907324) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64907324
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCC(C)C2C)cc1
InChIInChI=1S/C16H25N/c1-4-14-6-8-15(9-7-14)11-17-16-10-5-12(2)13(16)3/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyDFAKNCJLYRURCW-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 79984316
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909543
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
CID 64909509
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64907324) is N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CCc1ccc(CNC2CCC(C)C2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is DFAKNCJLYRURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14-6-8-15(9-7-14)11-17-16-10-5-12(2)13(16)3/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64907324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).