2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol

C11H18N2O — CID 174179021

IUPAC2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol
SMILESCC(C)(CN)NCc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-11(2,8-12)13-7-9-5-3-4-6-10(9)14/h3-6,13-14H,7-8,12H2,1-2H3
InChIKeyKRKIPKGHZCYUQL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds4

About 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol

2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol (PubChem CID 174179021) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol
PubChem CID174179021
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol
SMILESCC(C)(CN)NCc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-11(2,8-12)13-7-9-5-3-4-6-10(9)14/h3-6,13-14H,7-8,12H2,1-2H3
InChIKeyKRKIPKGHZCYUQL-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]phenol
CID 106185668
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-(ethylaminomethyl)phenol
CID 12995218
ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate
CID 101354301
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2-(aminomethyl)phenol;methane
CID 158060419
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
2-(3-amino-3-methylbutyl)phenol
CID 19863683
[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate
CID 82533049

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol (CID 174179021) is 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol is CC(C)(CN)NCc1ccccc1O.
What is the InChIKey of 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol?
The InChIKey is KRKIPKGHZCYUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,8-12)13-7-9-5-3-4-6-10(9)14/h3-6,13-14H,7-8,12H2,1-2H3.
What are the key properties of 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol?
2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-amino-2-methylpropan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 174179021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).