4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol

C15H24N2O — CID 79356213

IUPAC4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C15H24N2O/c1-15(2,18)9-10-17(14-7-8-14)11-12-3-5-13(16)6-4-12/h3-6,14,18H,7-11,16H2,1-2H3
InChIKeyGQBOMTQEQRTWJT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds6

About 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol

4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol (PubChem CID 79356213) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
PubChem CID79356213
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C15H24N2O/c1-15(2,18)9-10-17(14-7-8-14)11-12-3-5-13(16)6-4-12/h3-6,14,18H,7-11,16H2,1-2H3
InChIKeyGQBOMTQEQRTWJT-UHFFFAOYSA-N
XLogP2.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
4-[[cyclopropyl(3-ethylsulfonylpropyl)amino]methyl]aniline
CID 65093300
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
CID 43384089
4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180368
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
4-[[cyclopropyl(2-phenylsulfanylethyl)amino]methyl]aniline
CID 79227847
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol (CID 79356213) is 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol is CC(C)(O)CCN(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol?
The InChIKey is GQBOMTQEQRTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,18)9-10-17(14-7-8-14)11-12-3-5-13(16)6-4-12/h3-6,14,18H,7-11,16H2,1-2H3.
What are the key properties of 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol?
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79356213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).