(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine

C14H21NO — CID 124509379

IUPAC(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
SMILESCN[C@@H](Cc1cccc(C)c1)[C@@H]1CCCO1
InChIInChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)10-13(15-2)14-7-4-8-16-14/h3,5-6,9,13-15H,4,7-8,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyVILPWTPEIBBXHY-KBPBESRZSA-N
MW219.33 g/mol
LogP2.30
Rot. Bonds4

About (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine

(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine (PubChem CID 124509379) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
PubChem CID124509379
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
SMILESCN[C@@H](Cc1cccc(C)c1)[C@@H]1CCCO1
InChIInChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)10-13(15-2)14-7-4-8-16-14/h3,5-6,9,13-15H,4,7-8,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyVILPWTPEIBBXHY-KBPBESRZSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-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

2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
2-hydroxypropane-1,2,3-tricarboxylic acid;N-methyl-1-(oxolan-2-yl)-2-phenylethanamine
CID 139022406
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine?
The IUPAC name of (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine (CID 124509379) is (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine?
The canonical SMILES for (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine is CN[C@@H](Cc1cccc(C)c1)[C@@H]1CCCO1.
What is the InChIKey of (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine?
The InChIKey is VILPWTPEIBBXHY-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)10-13(15-2)14-7-4-8-16-14/h3,5-6,9,13-15H,4,7-8,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine?
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine is sourced from PubChem (CID 124509379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).