2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol

C14H21NO2 — CID 112514394

IUPAC2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(CO)N(C)C2CC2)c1
InChIInChI=1S/C14H21NO2/c1-3-17-13-6-4-5-11(9-13)14(10-16)15(2)12-7-8-12/h4-6,9,12,14,16H,3,7-8,10H2,1-2H3
InChIKeyMIHJVIHYVOAUPK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds6

About 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol

2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol (PubChem CID 112514394) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol
PubChem CID112514394
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(CO)N(C)C2CC2)c1
InChIInChI=1S/C14H21NO2/c1-3-17-13-6-4-5-11(9-13)14(10-16)15(2)12-7-8-12/h4-6,9,12,14,16H,3,7-8,10H2,1-2H3
InChIKeyMIHJVIHYVOAUPK-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
2-(3-ethoxyphenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetonitrile
CID 84757286
cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 54144230
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
chloro-(3-ethoxyphenyl)methanol
CID 141156919
1-(3-ethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303043
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902
4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
CID 112563653

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol (CID 112514394) is 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(CO)N(C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol?
The InChIKey is MIHJVIHYVOAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-17-13-6-4-5-11(9-13)14(10-16)15(2)12-7-8-12/h4-6,9,12,14,16H,3,7-8,10H2,1-2H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol?
2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 112514394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).