2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine

C14H21NO — CID 62905159

IUPAC2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
SMILESCc1cccc(CC(N)C2CCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11-3-2-4-12(9-11)10-14(15)13-5-7-16-8-6-13/h2-4,9,13-14H,5-8,10,15H2,1H3
InChIKeyCSNJXBLFLAYPME-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine

2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine (PubChem CID 62905159) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
PubChem CID62905159
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
SMILESCc1cccc(CC(N)C2CCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11-3-2-4-12(9-11)10-14(15)13-5-7-16-8-6-13/h2-4,9,13-14H,5-8,10,15H2,1H3
InChIKeyCSNJXBLFLAYPME-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine 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

1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437
2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
CID 66057601
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622944
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine (CID 62905159) is 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine is Cc1cccc(CC(N)C2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is CSNJXBLFLAYPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-2-4-12(9-11)10-14(15)13-5-7-16-8-6-13/h2-4,9,13-14H,5-8,10,15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine?
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62905159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).