2-[(4-fluorophenyl)methyl-propylamino]ethanol

C12H18FNO — CID 783658

IUPAC2-[(4-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-7-14(8-9-15)10-11-3-5-12(13)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyGFDPQJRBABWDQB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-propylamino]ethanol

2-[(4-fluorophenyl)methyl-propylamino]ethanol (PubChem CID 783658) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-propylamino]ethanol
PubChem CID783658
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(4-fluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-7-14(8-9-15)10-11-3-5-12(13)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyGFDPQJRBABWDQB-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
CID 63387186
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
CID 60692253
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(4-fluorophenyl)methyl-propylamino]ethanol (CID 783658) is 2-[(4-fluorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-propylamino]ethanol?
The InChIKey is GFDPQJRBABWDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-7-14(8-9-15)10-11-3-5-12(13)6-4-11/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-propylamino]ethanol?
2-[(4-fluorophenyl)methyl-propylamino]ethanol has a molecular weight of 211.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 783658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).