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

C14H22N2O2 — CID 62264706

IUPAC1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
SMILESCN(CC(O)c1ccc(N)cc1)C1CCOCC1
InChIInChI=1S/C14H22N2O2/c1-16(13-6-8-18-9-7-13)10-14(17)11-2-4-12(15)5-3-11/h2-5,13-14,17H,6-10,15H2,1H3
InChIKeyBYOMKXOBUGWTNF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.41
Rot. Bonds4

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

1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol (PubChem CID 62264706) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
PubChem CID62264706
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
SMILESCN(CC(O)c1ccc(N)cc1)C1CCOCC1
InChIInChI=1S/C14H22N2O2/c1-16(13-6-8-18-9-7-13)10-14(17)11-2-4-12(15)5-3-11/h2-5,13-14,17H,6-10,15H2,1H3
InChIKeyBYOMKXOBUGWTNF-UHFFFAOYSA-N
XLogP1.41
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.41
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-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82732204
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 43610733
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
2-[cyclopentyl(methyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79040937
1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
CID 82217010
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
CID 62265577

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol (CID 62264706) is 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol is CN(CC(O)c1ccc(N)cc1)C1CCOCC1.
What is the InChIKey of 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
The InChIKey is BYOMKXOBUGWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(13-6-8-18-9-7-13)10-14(17)11-2-4-12(15)5-3-11/h2-5,13-14,17H,6-10,15H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol?
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol is sourced from PubChem (CID 62264706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).