2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol

C15H23NO2 — CID 63954429

IUPAC2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCCN(CC1CC1)CC(O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-3-16(10-12-7-8-12)11-15(17)13-5-4-6-14(9-13)18-2/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyBNFGNBICDZNHHQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.46
Rot. Bonds7

About 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol

2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 63954429) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
PubChem CID63954429
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCCN(CC1CC1)CC(O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-3-16(10-12-7-8-12)11-15(17)13-5-4-6-14(9-13)18-2/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyBNFGNBICDZNHHQ-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
2-[azetidin-3-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133809
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
CID 111799291
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
2-[cyclopropylmethyl-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
CID 42843064
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol (CID 63954429) is 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol is CCN(CC1CC1)CC(O)c1cccc(OC)c1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is BNFGNBICDZNHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16(10-12-7-8-12)11-15(17)13-5-4-6-14(9-13)18-2/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 63954429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).