2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol

C14H21NO3 — CID 112514640

IUPAC2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)C2CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-15(11-5-6-11)12(9-16)10-4-7-13(17-2)14(8-10)18-3/h4,7-8,11-12,16H,5-6,9H2,1-3H3
InChIKeyRSHVBPDQLGGGFL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds6

About 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol

2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol (PubChem CID 112514640) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol
PubChem CID112514640
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)C2CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-15(11-5-6-11)12(9-16)10-4-7-13(17-2)14(8-10)18-3/h4,7-8,11-12,16H,5-6,9H2,1-3H3
InChIKeyRSHVBPDQLGGGFL-UHFFFAOYSA-N
XLogP1.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 112514944
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62132615
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
CID 116825142
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]guanidine
CID 110884502
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(cyclopropylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111868191
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 154247141
2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 63688559

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol (CID 112514640) is 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol is COc1ccc(C(CO)N(C)C2CC2)cc1OC.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is RSHVBPDQLGGGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(11-5-6-11)12(9-16)10-4-7-13(17-2)14(8-10)18-3/h4,7-8,11-12,16H,5-6,9H2,1-3H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol?
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 112514640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).