[2-[butyl(methyl)amino]phenyl]methanol

C12H19NO — CID 28945677

IUPAC[2-[butyl(methyl)amino]phenyl]methanol
SMILESCCCCN(C)c1ccccc1CO
InChIInChI=1S/C12H19NO/c1-3-4-9-13(2)12-8-6-5-7-11(12)10-14/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyWERNZZRNKBMGHK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds5

About [2-[butyl(methyl)amino]phenyl]methanol

[2-[butyl(methyl)amino]phenyl]methanol (PubChem CID 28945677) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [2-[butyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[butyl(methyl)amino]phenyl]methanol
PubChem CID28945677
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[2-[butyl(methyl)amino]phenyl]methanol
SMILESCCCCN(C)c1ccccc1CO
InChIInChI=1S/C12H19NO/c1-3-4-9-13(2)12-8-6-5-7-11(12)10-14/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyWERNZZRNKBMGHK-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-[methyl(2-methylpropyl)amino]phenyl]methanol
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(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
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[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
CID 60984636
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
2-(hydroxymethyl)phenol;pentane
CID 70619203
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415401
2-[2-(hydroxymethyl)-N-methylanilino]-N-methylacetamide
CID 43375132
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596

Frequently Asked Questions

What is the IUPAC name of [2-[butyl(methyl)amino]phenyl]methanol?
The IUPAC name of [2-[butyl(methyl)amino]phenyl]methanol (CID 28945677) is [2-[butyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [2-[butyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [2-[butyl(methyl)amino]phenyl]methanol is CCCCN(C)c1ccccc1CO.
What is the InChIKey of [2-[butyl(methyl)amino]phenyl]methanol?
The InChIKey is WERNZZRNKBMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-9-13(2)12-8-6-5-7-11(12)10-14/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of [2-[butyl(methyl)amino]phenyl]methanol?
[2-[butyl(methyl)amino]phenyl]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 28945677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).