[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol

C12H17NO — CID 130874904

IUPAC[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
SMILESCC1CC1CNc1cccc(CO)c1
InChIInChI=1S/C12H17NO/c1-9-5-11(9)7-13-12-4-2-3-10(6-12)8-14/h2-4,6,9,11,13-14H,5,7-8H2,1H3
InChIKeyJSHUWQOPYHIBEA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.25
Rot. Bonds4

About [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol

[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol (PubChem CID 130874904) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
PubChem CID130874904
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
SMILESCC1CC1CNc1cccc(CO)c1
InChIInChI=1S/C12H17NO/c1-9-5-11(9)7-13-12-4-2-3-10(6-12)8-14/h2-4,6,9,11,13-14H,5,7-8H2,1H3
InChIKeyJSHUWQOPYHIBEA-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 131186122
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
CID 43715050
3-ethynyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 130617398
1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 113464374
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
4-[(2-methylcyclopropyl)methylamino]phenol
CID 130679284
tert-butyl 4-[[3-(hydroxymethyl)anilino]methyl]piperidine-1-carboxylate
CID 103730152
[3-(3-methylbut-2-enylamino)phenyl]methanol
CID 131065051
[3-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]methanol
CID 43715216
[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol (CID 130874904) is [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol is CC1CC1CNc1cccc(CO)c1.
What is the InChIKey of [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol?
The InChIKey is JSHUWQOPYHIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-11(9)7-13-12-4-2-3-10(6-12)8-14/h2-4,6,9,11,13-14H,5,7-8H2,1H3.
What are the key properties of [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol?
[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylcyclopropyl)methylamino]phenyl]methanol is sourced from PubChem (CID 130874904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).