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

C14H23NO — CID 112631179

IUPAC[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
SMILESCCN(Cc1ccc(CO)cc1)CC(C)C
InChIInChI=1S/C14H23NO/c1-4-15(9-12(2)3)10-13-5-7-14(11-16)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyFUGLXDCJJBJOME-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.66
Rot. Bonds6

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

[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol (PubChem CID 112631179) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
PubChem CID112631179
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
SMILESCCN(Cc1ccc(CO)cc1)CC(C)C
InChIInChI=1S/C14H23NO/c1-4-15(9-12(2)3)10-13-5-7-14(11-16)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyFUGLXDCJJBJOME-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
CID 110009104
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[[ethyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 43273731
2-[4-[[ethyl(2-methylbutyl)amino]methyl]phenyl]acetic acid
CID 105346105
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185

Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol (CID 112631179) is [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol is CCN(Cc1ccc(CO)cc1)CC(C)C.
What is the InChIKey of [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol?
The InChIKey is FUGLXDCJJBJOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15(9-12(2)3)10-13-5-7-14(11-16)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol?
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 112631179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).