3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol

C16H25NO2 — CID 102848724

IUPAC3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
SMILESCOc1ccc(CCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-16-8-6-14(7-9-16)10-12-17(11-3-13-18)15-4-2-5-15/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyNPVUIUWUKNPWCS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds8

About 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol

3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol (PubChem CID 102848724) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
PubChem CID102848724
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
SMILESCOc1ccc(CCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-16-8-6-14(7-9-16)10-12-17(11-3-13-18)15-4-2-5-15/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyNPVUIUWUKNPWCS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 102874850
N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
CID 102860071
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol (CID 102848724) is 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol is COc1ccc(CCN(CCCO)C2CCC2)cc1.
What is the InChIKey of 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol?
The InChIKey is NPVUIUWUKNPWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-16-8-6-14(7-9-16)10-12-17(11-3-13-18)15-4-2-5-15/h6-9,15,18H,2-5,10-13H2,1H3.
What are the key properties of 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol?
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 102848724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).