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

C15H23NO2 — CID 103892705

IUPAC3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
SMILESCOc1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C15H23NO2/c1-18-15-9-3-2-6-13(15)12-16(10-5-11-17)14-7-4-8-14/h2-3,6,9,14,17H,4-5,7-8,10-12H2,1H3
InChIKeyAEFPSWPJKLJKNX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds7

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

3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol (PubChem CID 103892705) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
PubChem CID103892705
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
SMILESCOc1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C15H23NO2/c1-18-15-9-3-2-6-13(15)12-16(10-5-11-17)14-7-4-8-14/h2-3,6,9,14,17H,4-5,7-8,10-12H2,1H3
InChIKeyAEFPSWPJKLJKNX-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
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N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
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2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
3-[cyclobutyl-[(3,4-dimethoxy-2-pyridinyl)methyl]amino]propan-1-ol
CID 103173852
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
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N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol (CID 103892705) is 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol is COc1ccccc1CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol?
The InChIKey is AEFPSWPJKLJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-15-9-3-2-6-13(15)12-16(10-5-11-17)14-7-4-8-14/h2-3,6,9,14,17H,4-5,7-8,10-12H2,1H3.
What are the key properties of 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol?
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 103892705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).