(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine

C18H22N2O — CID 124508072

IUPAC(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine
SMILESCc1ccc([C@H]2OCCC[C@@H]2NCc2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-4-6-16(7-5-14)18-17(3-2-12-21-18)20-13-15-8-10-19-11-9-15/h4-11,17-18,20H,2-3,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyYPXSQHUOJXMENA-ZWKOTPCHSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds4

About (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine

(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine (PubChem CID 124508072) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine
PubChem CID124508072
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine
SMILESCc1ccc([C@H]2OCCC[C@@H]2NCc2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-4-6-16(7-5-14)18-17(3-2-12-21-18)20-13-15-8-10-19-11-9-15/h4-11,17-18,20H,2-3,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyYPXSQHUOJXMENA-ZWKOTPCHSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-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,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-N-(1-benzofuran-3-ylmethyl)-2-pyridin-4-yloxan-3-amine
CID 131958474
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 174900275
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 95785042
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine
CID 129490196
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine?
The IUPAC name of (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine (CID 124508072) is (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine.
What is the SMILES notation for (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine?
The canonical SMILES for (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine is Cc1ccc([C@H]2OCCC[C@@H]2NCc2ccncc2)cc1.
What is the InChIKey of (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine?
The InChIKey is YPXSQHUOJXMENA-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-4-6-16(7-5-14)18-17(3-2-12-21-18)20-13-15-8-10-19-11-9-15/h4-11,17-18,20H,2-3,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine?
(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine has a molecular weight of 282.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine is sourced from PubChem (CID 124508072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).