2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol

C15H23NO4 — CID 61054231

IUPAC2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(CO)NCC2CC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-13-6-11(7-14(19-2)15(13)20-3)12(9-17)16-8-10-4-5-10/h6-7,10,12,16-17H,4-5,8-9H2,1-3H3
InChIKeyPQCSSZPTWNVBLK-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.75
Rot. Bonds8

About 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol

2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol (PubChem CID 61054231) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
PubChem CID61054231
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(CO)NCC2CC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-13-6-11(7-14(19-2)15(13)20-3)12(9-17)16-8-10-4-5-10/h6-7,10,12,16-17H,4-5,8-9H2,1-3H3
InChIKeyPQCSSZPTWNVBLK-UHFFFAOYSA-N
XLogP1.75
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
CID 63295210
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030744
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
CID 65376786

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol (CID 61054231) is 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol is COc1cc(C(CO)NCC2CC2)cc(OC)c1OC.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol?
The InChIKey is PQCSSZPTWNVBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-13-6-11(7-14(19-2)15(13)20-3)12(9-17)16-8-10-4-5-10/h6-7,10,12,16-17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol?
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol has a molecular weight of 281.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 61054231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).