1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol

C14H24N2O — CID 66417504

IUPAC1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccccc1N
InChIInChI=1S/C14H24N2O/c1-11(2)8-14(3,17)10-16-9-12-6-4-5-7-13(12)15/h4-7,11,16-17H,8-10,15H2,1-3H3
InChIKeyZYVQGRLWZVXPIM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.16
Rot. Bonds6

About 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol

1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66417504) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66417504
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccccc1N
InChIInChI=1S/C14H24N2O/c1-11(2)8-14(3,17)10-16-9-12-6-4-5-7-13(12)15/h4-7,11,16-17H,8-10,15H2,1-3H3
InChIKeyZYVQGRLWZVXPIM-UHFFFAOYSA-N
XLogP2.16
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66179073
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178945
2-[(3-methylbutylamino)methyl]aniline
CID 65439123
1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
CID 66180708
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
2-[(2,3-dimethylbutylamino)methyl]aniline
CID 64596728

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol (CID 66417504) is 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCc1ccccc1N.
What is the InChIKey of 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is ZYVQGRLWZVXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)8-14(3,17)10-16-9-12-6-4-5-7-13(12)15/h4-7,11,16-17H,8-10,15H2,1-3H3.
What are the key properties of 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66417504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).