2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol

C13H20FNO — CID 115880050

IUPAC2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
SMILESCc1ccc(F)c(CN(CCO)C(C)C)c1
InChIInChI=1S/C13H20FNO/c1-10(2)15(6-7-16)9-12-8-11(3)4-5-13(12)14/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyKNCHKVCCLAXJTP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.34
Rot. Bonds5

About 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol

2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 115880050) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
PubChem CID115880050
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
SMILESCc1ccc(F)c(CN(CCO)C(C)C)c1
InChIInChI=1S/C13H20FNO/c1-10(2)15(6-7-16)9-12-8-11(3)4-5-13(12)14/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyKNCHKVCCLAXJTP-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
3-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 114055340
2-[(2-bromo-4-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880081
2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 80670345
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434
3-bromo-N-[(2,5-difluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680405
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol (CID 115880050) is 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol is Cc1ccc(F)c(CN(CCO)C(C)C)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is KNCHKVCCLAXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)15(6-7-16)9-12-8-11(3)4-5-13(12)14/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol?
2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 115880050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).