N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine

C14H21NO — CID 115337185

IUPACN-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
SMILESCCc1ccc(CNC2CCOC2C)cc1
InChIInChI=1S/C14H21NO/c1-3-12-4-6-13(7-5-12)10-15-14-8-9-16-11(14)2/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyGOQORQSDCJZICQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.52
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine

N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 115337185) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
PubChem CID115337185
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
SMILESCCc1ccc(CNC2CCOC2C)cc1
InChIInChI=1S/C14H21NO/c1-3-12-4-6-13(7-5-12)10-15-14-8-9-16-11(14)2/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyGOQORQSDCJZICQ-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
(2S,3S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]oxolan-3-amine
CID 97107434
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]oxolan-3-amine
CID 115337256
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
N-[(4-chloro-3-nitrophenyl)methyl]-2-methyloxolan-3-amine
CID 82725055
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine (CID 115337185) is N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine is CCc1ccc(CNC2CCOC2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is GOQORQSDCJZICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12-4-6-13(7-5-12)10-15-14-8-9-16-11(14)2/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine?
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115337185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).