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

C15H26N2O2 — CID 107151111

IUPAC1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-10(2)7-13(18)9-17-12-5-6-14(16)15(8-12)19-11(3)4/h5-6,8,10-11,13,17-18H,7,9,16H2,1-4H3
InChIKeyDBJKIUCVRJFARU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.87
Rot. Bonds7

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

1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol (PubChem CID 107151111) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
PubChem CID107151111
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-10(2)7-13(18)9-17-12-5-6-14(16)15(8-12)19-11(3)4/h5-6,8,10-11,13,17-18H,7,9,16H2,1-4H3
InChIKeyDBJKIUCVRJFARU-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline
CID 83961524
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
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
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol?
The IUPAC name of 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol (CID 107151111) is 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol is CC(C)CC(O)CNc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol?
The InChIKey is DBJKIUCVRJFARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)7-13(18)9-17-12-5-6-14(16)15(8-12)19-11(3)4/h5-6,8,10-11,13,17-18H,7,9,16H2,1-4H3.
What are the key properties of 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol?
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol is sourced from PubChem (CID 107151111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).