(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine

C17H25NO3 — CID 129378923

IUPAC(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine
SMILESCCOc1ccccc1O[C@@H]1CCC[C@@H]1N[C@H]1CCOC1
InChIInChI=1S/C17H25NO3/c1-2-20-16-7-3-4-8-17(16)21-15-9-5-6-14(15)18-13-10-11-19-12-13/h3-4,7-8,13-15,18H,2,5-6,9-12H2,1H3/t13-,14-,15+/m0/s1
InChIKeySMEQUXUGXUJYAP-SOUVJXGZSA-N
MW291.39 g/mol
LogP2.76
Rot. Bonds6

About (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine

(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine (PubChem CID 129378923) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine
PubChem CID129378923
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine
SMILESCCOc1ccccc1O[C@@H]1CCC[C@@H]1N[C@H]1CCOC1
InChIInChI=1S/C17H25NO3/c1-2-20-16-7-3-4-8-17(16)21-15-9-5-6-14(15)18-13-10-11-19-12-13/h3-4,7-8,13-15,18H,2,5-6,9-12H2,1H3/t13-,14-,15+/m0/s1
InChIKeySMEQUXUGXUJYAP-SOUVJXGZSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine with MolForge

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Related Compounds

2-(2-ethoxyphenoxy)cyclopentan-1-amine
CID 16781253
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
N-(2-methoxycyclohexyl)oxolan-3-amine
CID 80717087
N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide
CID 95777472
3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
CID 79619308
N-(2-phenylcyclohexyl)oxolan-3-amine
CID 80716893
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
CID 106471139
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
4-bromo-3-[2-(2-ethoxyphenoxy)ethyl]oxane
CID 106471587
N-(3-ethoxy-4-methylphenyl)oxolan-3-amine
CID 115744217

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine (CID 129378923) is (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine is CCOc1ccccc1O[C@@H]1CCC[C@@H]1N[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine?
The InChIKey is SMEQUXUGXUJYAP-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-20-16-7-3-4-8-17(16)21-15-9-5-6-14(15)18-13-10-11-19-12-13/h3-4,7-8,13-15,18H,2,5-6,9-12H2,1H3/t13-,14-,15+/m0/s1.
What are the key properties of (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine?
(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine has a molecular weight of 291.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine is sourced from PubChem (CID 129378923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).