2-[(1-amino-3-methylbutan-2-yl)amino]phenol

C11H18N2O — CID 105448271

IUPAC2-[(1-amino-3-methylbutan-2-yl)amino]phenol
SMILESCC(C)C(CN)Nc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-8(2)10(7-12)13-9-5-3-4-6-11(9)14/h3-6,8,10,13-14H,7,12H2,1-2H3
InChIKeyBHSGYWWPYALHSB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.79
Rot. Bonds4

About 2-[(1-amino-3-methylbutan-2-yl)amino]phenol

2-[(1-amino-3-methylbutan-2-yl)amino]phenol (PubChem CID 105448271) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(1-amino-3-methylbutan-2-yl)amino]phenol.

Molecular Properties

Compound Name2-[(1-amino-3-methylbutan-2-yl)amino]phenol
PubChem CID105448271
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[(1-amino-3-methylbutan-2-yl)amino]phenol
SMILESCC(C)C(CN)Nc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-8(2)10(7-12)13-9-5-3-4-6-11(9)14/h3-6,8,10,13-14H,7,12H2,1-2H3
InChIKeyBHSGYWWPYALHSB-UHFFFAOYSA-N
XLogP1.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropan-2-ylamino)phenol
CID 105433034
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
2-N-(5-chloro-2-fluorophenyl)-3-methylbutane-1,2-diamine
CID 115137933
2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469461
2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
CID 65379401
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 65192390
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
CID 65192341
2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine
CID 65377307

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylbutan-2-yl)amino]phenol?
The IUPAC name of 2-[(1-amino-3-methylbutan-2-yl)amino]phenol (CID 105448271) is 2-[(1-amino-3-methylbutan-2-yl)amino]phenol.
What is the SMILES notation for 2-[(1-amino-3-methylbutan-2-yl)amino]phenol?
The canonical SMILES for 2-[(1-amino-3-methylbutan-2-yl)amino]phenol is CC(C)C(CN)Nc1ccccc1O.
What is the InChIKey of 2-[(1-amino-3-methylbutan-2-yl)amino]phenol?
The InChIKey is BHSGYWWPYALHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)10(7-12)13-9-5-3-4-6-11(9)14/h3-6,8,10,13-14H,7,12H2,1-2H3.
What are the key properties of 2-[(1-amino-3-methylbutan-2-yl)amino]phenol?
2-[(1-amino-3-methylbutan-2-yl)amino]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylbutan-2-yl)amino]phenol is sourced from PubChem (CID 105448271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).