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

C16H25N — CID 79861395

IUPACN-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2(C)C)cc1
InChIInChI=1S/C16H25N/c1-4-13-7-9-14(10-8-13)12-17-15-6-5-11-16(15,2)3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyGHLYUOMFTCHKPB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds4

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

N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861395) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861395
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CCCC2(C)C)cc1
InChIInChI=1S/C16H25N/c1-4-13-7-9-14(10-8-13)12-17-15-6-5-11-16(15,2)3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyGHLYUOMFTCHKPB-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79860887
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]cyclopentan-1-amine
CID 105378566
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 79857291
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79861395) is N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine is CCc1ccc(CNC2CCCC2(C)C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is GHLYUOMFTCHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13-7-9-14(10-8-13)12-17-15-6-5-11-16(15,2)3/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 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]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).