3-[(2,2-dimethylpropylamino)methyl]phenol

C12H19NO — CID 61168386

IUPAC3-[(2,2-dimethylpropylamino)methyl]phenol
SMILESCC(C)(C)CNCc1cccc(O)c1
InChIInChI=1S/C12H19NO/c1-12(2,3)9-13-8-10-5-4-6-11(14)7-10/h4-7,13-14H,8-9H2,1-3H3
InChIKeyFGYOETDVDDALSY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.53
Rot. Bonds3

About 3-[(2,2-dimethylpropylamino)methyl]phenol

3-[(2,2-dimethylpropylamino)methyl]phenol (PubChem CID 61168386) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(2,2-dimethylpropylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(2,2-dimethylpropylamino)methyl]phenol
PubChem CID61168386
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[(2,2-dimethylpropylamino)methyl]phenol
SMILESCC(C)(C)CNCc1cccc(O)c1
InChIInChI=1S/C12H19NO/c1-12(2,3)9-13-8-10-5-4-6-11(14)7-10/h4-7,13-14H,8-9H2,1-3H3
InChIKeyFGYOETDVDDALSY-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]phenol
CID 62316398
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
CID 115212181
3-(propylaminomethyl)phenol
CID 10725714
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
CID 28725427
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpropylamino)methyl]phenol?
The IUPAC name of 3-[(2,2-dimethylpropylamino)methyl]phenol (CID 61168386) is 3-[(2,2-dimethylpropylamino)methyl]phenol.
What is the SMILES notation for 3-[(2,2-dimethylpropylamino)methyl]phenol?
The canonical SMILES for 3-[(2,2-dimethylpropylamino)methyl]phenol is CC(C)(C)CNCc1cccc(O)c1.
What is the InChIKey of 3-[(2,2-dimethylpropylamino)methyl]phenol?
The InChIKey is FGYOETDVDDALSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)9-13-8-10-5-4-6-11(14)7-10/h4-7,13-14H,8-9H2,1-3H3.
What are the key properties of 3-[(2,2-dimethylpropylamino)methyl]phenol?
3-[(2,2-dimethylpropylamino)methyl]phenol has a molecular weight of 193.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpropylamino)methyl]phenol is sourced from PubChem (CID 61168386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).