[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol

C14H23NO — CID 112631162

IUPAC[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
SMILESCC(C)C(C)N(C)Cc1ccc(CO)cc1
InChIInChI=1S/C14H23NO/c1-11(2)12(3)15(4)9-13-5-7-14(10-16)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyJLGGUCZMQUBCSP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.66
Rot. Bonds5

About [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol

[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol (PubChem CID 112631162) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
PubChem CID112631162
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
SMILESCC(C)C(C)N(C)Cc1ccc(CO)cc1
InChIInChI=1S/C14H23NO/c1-11(2)12(3)15(4)9-13-5-7-14(10-16)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyJLGGUCZMQUBCSP-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol (CID 112631162) is [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol is CC(C)C(C)N(C)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is JLGGUCZMQUBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)12(3)15(4)9-13-5-7-14(10-16)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol?
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 112631162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).