1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol

C15H23NO2 — CID 54938847

IUPAC1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-11-3-7-15(8-4-11)18-10-14(17)9-16-12(2)13-5-6-13/h3-4,7-8,12-14,16-17H,5-6,9-10H2,1-2H3
InChIKeyJZOJJBNUGHNYIQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.12
Rot. Bonds7

About 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol

1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol (PubChem CID 54938847) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
PubChem CID54938847
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-11-3-7-15(8-4-11)18-10-14(17)9-16-12(2)13-5-6-13/h3-4,7-8,12-14,16-17H,5-6,9-10H2,1-2H3
InChIKeyJZOJJBNUGHNYIQ-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
(2S)-1-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 100798877
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 21152244
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol (CID 54938847) is 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNC(C)C2CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is JZOJJBNUGHNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-7-15(8-4-11)18-10-14(17)9-16-12(2)13-5-6-13/h3-4,7-8,12-14,16-17H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol?
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 54938847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).