[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol

C14H24N2O — CID 113365773

IUPAC[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
SMILESCN(C)C(C)(C)CNCc1ccc(CO)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,16(3)4)11-15-9-12-5-7-13(10-17)8-6-12/h5-8,15,17H,9-11H2,1-4H3
InChIKeyIUDYIPHLUANHMB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.61
Rot. Bonds6

About [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol

[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol (PubChem CID 113365773) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
PubChem CID113365773
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
SMILESCN(C)C(C)(C)CNCc1ccc(CO)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,16(3)4)11-15-9-12-5-7-13(10-17)8-6-12/h5-8,15,17H,9-11H2,1-4H3
InChIKeyIUDYIPHLUANHMB-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 28651878
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
1-N-[(3,5-difluorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113338369
4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 107230759
2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830339
2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
CID 113475937
2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
CID 81412116
1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104953350
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115875875
1-N-[(5-chlorofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 60663982

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol (CID 113365773) is [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol is CN(C)C(C)(C)CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol?
The InChIKey is IUDYIPHLUANHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,16(3)4)11-15-9-12-5-7-13(10-17)8-6-12/h5-8,15,17H,9-11H2,1-4H3.
What are the key properties of [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol?
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol has a molecular weight of 236.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 113365773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).