[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol

C13H19NO — CID 112631198

IUPAC[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)CC1CC1
InChIInChI=1S/C13H19NO/c1-14(8-11-2-3-11)9-12-4-6-13(10-15)7-5-12/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyXANQVPRPUFLXFJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.02
Rot. Bonds5

About [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol

[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol (PubChem CID 112631198) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
PubChem CID112631198
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)CC1CC1
InChIInChI=1S/C13H19NO/c1-14(8-11-2-3-11)9-12-4-6-13(10-15)7-5-12/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyXANQVPRPUFLXFJ-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
4-[[cyclopropylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 60984483
1-[3-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 110009631
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
3-[4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 55125764
[4-[[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]phenyl]methanol
CID 129343365
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol (CID 112631198) is [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol is CN(Cc1ccc(CO)cc1)CC1CC1.
What is the InChIKey of [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol?
The InChIKey is XANQVPRPUFLXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(8-11-2-3-11)9-12-4-6-13(10-15)7-5-12/h4-7,11,15H,2-3,8-10H2,1H3.
What are the key properties of [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol?
[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 112631198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).