[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol

C15H25NO — CID 112631174

IUPAC[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
SMILESCC(C)CC(C)N(C)Cc1ccc(CO)cc1
InChIInChI=1S/C15H25NO/c1-12(2)9-13(3)16(4)10-14-5-7-15(11-17)8-6-14/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyGMJBHUIRXVIYIG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds6

About [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol

[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol (PubChem CID 112631174) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
PubChem CID112631174
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
SMILESCC(C)CC(C)N(C)Cc1ccc(CO)cc1
InChIInChI=1S/C15H25NO/c1-12(2)9-13(3)16(4)10-14-5-7-15(11-17)8-6-14/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyGMJBHUIRXVIYIG-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4374
Methylephedrine
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Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
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(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Mk-1496
CID 67313626
Etafedrine Hydrochloride
CID 76964725
[4-(Aminomethyl)phenyl]methanol
CID 6496943
DL-Methylephedrine saccharinate
CID 9851505
2-Ethylmethylamino-1-phenylpropan-1-ol
CID 10734
2-(Diethylamino)-1-phenylethanol
CID 223392
(1R,2S)-(+)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 9903376

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol (CID 112631174) is [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol is CC(C)CC(C)N(C)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is GMJBHUIRXVIYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)9-13(3)16(4)10-14-5-7-15(11-17)8-6-14/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol?
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 235.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 112631174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).