3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol

C15H26N2O2 — CID 106167028

IUPAC3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-5-15(4,8-9-18)17-12-6-7-13(16)14(10-12)19-11(2)3/h6-7,10-11,17-18H,5,8-9,16H2,1-4H3
InChIKeyULUCOIOUFSVGAQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.02
Rot. Bonds7

About 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol

3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol (PubChem CID 106167028) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
PubChem CID106167028
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-5-15(4,8-9-18)17-12-6-7-13(16)14(10-12)19-11(2)3/h6-7,10-11,17-18H,5,8-9,16H2,1-4H3
InChIKeyULUCOIOUFSVGAQ-UHFFFAOYSA-N
XLogP3.02
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
3-(3-aminoanilino)-3-methylpentan-1-ol
CID 106167043
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol?
The IUPAC name of 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol (CID 106167028) is 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol is CCC(C)(CCO)Nc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol?
The InChIKey is ULUCOIOUFSVGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-15(4,8-9-18)17-12-6-7-13(16)14(10-12)19-11(2)3/h6-7,10-11,17-18H,5,8-9,16H2,1-4H3.
What are the key properties of 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol?
3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol is sourced from PubChem (CID 106167028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).