1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol

C13H19NO2 — CID 63294606

IUPAC1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(CNCC(O)C2CC2)c1
InChIInChI=1S/C13H19NO2/c1-16-12-4-2-3-10(7-12)8-14-9-13(15)11-5-6-11/h2-4,7,11,13-15H,5-6,8-9H2,1H3
InChIKeyJYRJEAKYFPYGRS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds6

About 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol

1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol (PubChem CID 63294606) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
PubChem CID63294606
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(CNCC(O)C2CC2)c1
InChIInChI=1S/C13H19NO2/c1-16-12-4-2-3-10(7-12)8-14-9-13(15)11-5-6-11/h2-4,7,11,13-15H,5-6,8-9H2,1H3
InChIKeyJYRJEAKYFPYGRS-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
CID 172690704
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol (CID 63294606) is 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol is COc1cccc(CNCC(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol?
The InChIKey is JYRJEAKYFPYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-12-4-2-3-10(7-12)8-14-9-13(15)11-5-6-11/h2-4,7,11,13-15H,5-6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol?
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 63294606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).