1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol

C16H23NO2 — CID 63295043

IUPAC1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
SMILESCOc1ccccc1C1CC(NCC(O)C2CC2)C1
InChIInChI=1S/C16H23NO2/c1-19-16-5-3-2-4-14(16)12-8-13(9-12)17-10-15(18)11-6-7-11/h2-5,11-13,15,17-18H,6-10H2,1H3
InChIKeyWJIBRAGUTFHZJT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.30
Rot. Bonds6

About 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol

1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol (PubChem CID 63295043) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
PubChem CID63295043
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
SMILESCOc1ccccc1C1CC(NCC(O)C2CC2)C1
InChIInChI=1S/C16H23NO2/c1-19-16-5-3-2-4-14(16)12-8-13(9-12)17-10-15(18)11-6-7-11/h2-5,11-13,15,17-18H,6-10H2,1H3
InChIKeyWJIBRAGUTFHZJT-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 63987431
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
3-(2-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856262
N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
CID 79091157
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol (CID 63295043) is 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol is COc1ccccc1C1CC(NCC(O)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol?
The InChIKey is WJIBRAGUTFHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-5-3-2-4-14(16)12-8-13(9-12)17-10-15(18)11-6-7-11/h2-5,11-13,15,17-18H,6-10H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol?
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol is sourced from PubChem (CID 63295043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).