3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol

C16H25NO2 — CID 102848832

IUPAC3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
SMILESCCOc1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H25NO2/c1-2-19-16-10-4-3-7-14(16)13-17(11-6-12-18)15-8-5-9-15/h3-4,7,10,15,18H,2,5-6,8-9,11-13H2,1H3
InChIKeyFWDNKUKSRUCSHQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds8

About 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol

3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol (PubChem CID 102848832) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
PubChem CID102848832
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
SMILESCCOc1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H25NO2/c1-2-19-16-10-4-3-7-14(16)13-17(11-6-12-18)15-8-5-9-15/h3-4,7,10,15,18H,2,5-6,8-9,11-13H2,1H3
InChIKeyFWDNKUKSRUCSHQ-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
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2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
CID 102860726
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62014264
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
3-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115730
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol (CID 102848832) is 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol is CCOc1ccccc1CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol?
The InChIKey is FWDNKUKSRUCSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-19-16-10-4-3-7-14(16)13-17(11-6-12-18)15-8-5-9-15/h3-4,7,10,15,18H,2,5-6,8-9,11-13H2,1H3.
What are the key properties of 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol?
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 102848832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).