2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol

C17H27NO2 — CID 60970438

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCOCCN(CC(O)c1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NO2/c1-13(2)14-4-6-15(7-5-14)17(19)12-18(10-11-20-3)16-8-9-16/h4-7,13,16-17,19H,8-12H2,1-3H3
InChIKeyFJFAZXWSEOYIOG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.95
Rot. Bonds8

About 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol

2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60970438) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60970438
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCOCCN(CC(O)c1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NO2/c1-13(2)14-4-6-15(7-5-14)17(19)12-18(10-11-20-3)16-8-9-16/h4-7,13,16-17,19H,8-12H2,1-3H3
InChIKeyFJFAZXWSEOYIOG-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 114066816
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451709
2-[cyclopropyl(3-methylbutyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110898512
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
N'-cyclopropyl-1-(3,4-dimethoxyphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451670
N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
CID 64996287
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol (CID 60970438) is 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol is COCCN(CC(O)c1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is FJFAZXWSEOYIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)14-4-6-15(7-5-14)17(19)12-18(10-11-20-3)16-8-9-16/h4-7,13,16-17,19H,8-12H2,1-3H3.
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60970438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).