1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol

C18H29NO2 — CID 81389982

IUPAC1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
SMILESCCc1cccc(OCC(O)CN[C@@H](C)C2CCCC2)c1
InChIInChI=1S/C18H29NO2/c1-3-15-7-6-10-18(11-15)21-13-17(20)12-19-14(2)16-8-4-5-9-16/h6-7,10-11,14,16-17,19-20H,3-5,8-9,12-13H2,1-2H3/t14-,17?/m0/s1
InChIKeyQBUNJUMKACWSAK-MBIQTGHCSA-N
MW291.44 g/mol
LogP3.16
Rot. Bonds8

About 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol

1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol (PubChem CID 81389982) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
PubChem CID81389982
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
SMILESCCc1cccc(OCC(O)CN[C@@H](C)C2CCCC2)c1
InChIInChI=1S/C18H29NO2/c1-3-15-7-6-10-18(11-15)21-13-17(20)12-19-14(2)16-8-4-5-9-16/h6-7,10-11,14,16-17,19-20H,3-5,8-9,12-13H2,1-2H3/t14-,17?/m0/s1
InChIKeyQBUNJUMKACWSAK-MBIQTGHCSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-(3-ethylphenoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584604
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol (CID 81389982) is 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol is CCc1cccc(OCC(O)CN[C@@H](C)C2CCCC2)c1.
What is the InChIKey of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol?
The InChIKey is QBUNJUMKACWSAK-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-15-7-6-10-18(11-15)21-13-17(20)12-19-14(2)16-8-4-5-9-16/h6-7,10-11,14,16-17,19-20H,3-5,8-9,12-13H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol?
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 81389982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).