1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol

C14H22N2O2 — CID 82732340

IUPAC1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
SMILESCC1OCCC1N(C)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-10-13(6-7-18-10)16(2)9-14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,17H,6-7,9,15H2,1-2H3
InChIKeyFXRMLBQBPRHWJI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.41
Rot. Bonds4

About 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol

1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol (PubChem CID 82732340) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
PubChem CID82732340
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
SMILESCC1OCCC1N(C)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-10-13(6-7-18-10)16(2)9-14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,17H,6-7,9,15H2,1-2H3
InChIKeyFXRMLBQBPRHWJI-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

3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
2-[methyl-(2-methyloxolan-3-yl)amino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82749510
1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 107521878
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropane-1-thiol
CID 82745986
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide
CID 82737937
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol (CID 82732340) is 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol is CC1OCCC1N(C)CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol?
The InChIKey is FXRMLBQBPRHWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-13(6-7-18-10)16(2)9-14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,17H,6-7,9,15H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol?
1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-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-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol is sourced from PubChem (CID 82732340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).