1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol

C15H24N2O2 — CID 63725224

IUPAC1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
SMILESCN(CC1CCOCC1)CC(O)c1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-17(10-12-5-7-19-8-6-12)11-15(18)13-3-2-4-14(16)9-13/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3
InChIKeyKOFFUURULGQODG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.66
Rot. Bonds5

About 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol

1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol (PubChem CID 63725224) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
PubChem CID63725224
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
SMILESCN(CC1CCOCC1)CC(O)c1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-17(10-12-5-7-19-8-6-12)11-15(18)13-3-2-4-14(16)9-13/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3
InChIKeyKOFFUURULGQODG-UHFFFAOYSA-N
XLogP1.66
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.66
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

1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
1-(3-methoxyphenyl)-2-[methyl(oxolan-3-ylmethyl)amino]ethanol
CID 111799291
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 107521307
1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 82732340
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632
1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
CID 55055156

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol (CID 63725224) is 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol is CN(CC1CCOCC1)CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
The InChIKey is KOFFUURULGQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(10-12-5-7-19-8-6-12)11-15(18)13-3-2-4-14(16)9-13/h2-4,9,12,15,18H,5-8,10-11,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol?
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 63725224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).