[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol

C11H16FNO — CID 115229428

IUPAC[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
SMILESCc1cc(CCN(C)CO)ccc1F
InChIInChI=1S/C11H16FNO/c1-9-7-10(3-4-11(9)12)5-6-13(2)8-14/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyPBYMEJBIBSNSAR-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.56
Rot. Bonds4

About [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol

[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol (PubChem CID 115229428) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
PubChem CID115229428
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
SMILESCc1cc(CCN(C)CO)ccc1F
InChIInChI=1S/C11H16FNO/c1-9-7-10(3-4-11(9)12)5-6-13(2)8-14/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyPBYMEJBIBSNSAR-UHFFFAOYSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylpropan-1-amine
CID 115215920
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040092
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol (CID 115229428) is [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol is Cc1cc(CCN(C)CO)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol?
The InChIKey is PBYMEJBIBSNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9-7-10(3-4-11(9)12)5-6-13(2)8-14/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol?
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol has a molecular weight of 197.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol is sourced from PubChem (CID 115229428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).