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

C14H24N2O — CID 62265077

IUPAC1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
SMILESCCC(C)CN(C)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H24N2O/c1-4-11(2)9-16(3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11,14,17H,4,9-10,15H2,1-3H3
InChIKeyRVHIZUPUWFDWBK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds6

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

1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol (PubChem CID 62265077) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
PubChem CID62265077
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
SMILESCCC(C)CN(C)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H24N2O/c1-4-11(2)9-16(3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11,14,17H,4,9-10,15H2,1-3H3
InChIKeyRVHIZUPUWFDWBK-UHFFFAOYSA-N
XLogP2.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
1-(3-aminophenyl)-2-(2-methylbutylsulfanyl)ethanol
CID 107748858
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706
1-(3-aminophenyl)-2-[2-methylpropyl(propan-2-yl)amino]ethanol
CID 55055157
1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
CID 55055156
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol (CID 62265077) is 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol is CCC(C)CN(C)CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
The InChIKey is RVHIZUPUWFDWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-11(2)9-16(3)10-14(17)12-6-5-7-13(15)8-12/h5-8,11,14,17H,4,9-10,15H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol?
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol is sourced from PubChem (CID 62265077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).