3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol

C15H24N2O2 — CID 102860071

IUPAC3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
SMILESCOc1cc(N)cc(CN(CCCO)C2CCC2)c1
InChIInChI=1S/C15H24N2O2/c1-19-15-9-12(8-13(16)10-15)11-17(6-3-7-18)14-4-2-5-14/h8-10,14,18H,2-7,11,16H2,1H3
InChIKeyQNAWMEPQHCIFQK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds7

About 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol

3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol (PubChem CID 102860071) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
PubChem CID102860071
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
SMILESCOc1cc(N)cc(CN(CCCO)C2CCC2)c1
InChIInChI=1S/C15H24N2O2/c1-19-15-9-12(8-13(16)10-15)11-17(6-3-7-18)14-4-2-5-14/h8-10,14,18H,2-7,11,16H2,1H3
InChIKeyQNAWMEPQHCIFQK-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127
3-[cyclobutyl-[(3-methoxy-5-nitrophenyl)methyl]amino]propan-1-ol
CID 102848414
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053
2-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475510
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102848808

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol (CID 102860071) is 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol is COc1cc(N)cc(CN(CCCO)C2CCC2)c1.
What is the InChIKey of 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol?
The InChIKey is QNAWMEPQHCIFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-15-9-12(8-13(16)10-15)11-17(6-3-7-18)14-4-2-5-14/h8-10,14,18H,2-7,11,16H2,1H3.
What are the key properties of 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol?
3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).