(3S,4R)-3-phenyloxan-4-amine

C11H15NO — CID 140767373

IUPAC(3S,4R)-3-phenyloxan-4-amine
SMILESN[C@@H]1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m0/s1
InChIKeyZROHCEQBZSVASC-WDEREUQCSA-N
MW177.25 g/mol
LogP1.52
Rot. Bonds1

About (3S,4R)-3-phenyloxan-4-amine

(3S,4R)-3-phenyloxan-4-amine (PubChem CID 140767373) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3S,4R)-3-phenyloxan-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-phenyloxan-4-amine
PubChem CID140767373
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3S,4R)-3-phenyloxan-4-amine
SMILESN[C@@H]1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m0/s1
InChIKeyZROHCEQBZSVASC-WDEREUQCSA-N
XLogP1.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-3-phenyloxan-4-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

3-(4-iodophenyl)oxan-4-amine
CID 67310807
3-(3-methylphenyl)oxan-4-amine
CID 84772069
(4-phenyloxan-3-yl)methanamine
CID 84772062
(3R)-3-phenyloxolane
CID 92859476
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
4-(3-fluorophenyl)oxan-3-amine
CID 84773511
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120748333
N-(2-phenylcyclohexyl)oxolan-3-amine
CID 80716893
3-(4-phenylphenyl)oxane-4-carboxylic acid
CID 68541740
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
CID 158450943

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-phenyloxan-4-amine?
The IUPAC name of (3S,4R)-3-phenyloxan-4-amine (CID 140767373) is (3S,4R)-3-phenyloxan-4-amine.
What is the SMILES notation for (3S,4R)-3-phenyloxan-4-amine?
The canonical SMILES for (3S,4R)-3-phenyloxan-4-amine is N[C@@H]1CCOC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-phenyloxan-4-amine?
The InChIKey is ZROHCEQBZSVASC-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-3-phenyloxan-4-amine?
(3S,4R)-3-phenyloxan-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-phenyloxan-4-amine is sourced from PubChem (CID 140767373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).