2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol

C14H23FN2O — CID 55016257

IUPAC2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O/c1-2-3-8-17(9-10-18)14(11-16)12-4-6-13(15)7-5-12/h4-7,14,18H,2-3,8-11,16H2,1H3
InChIKeyBYRPZIQUPYVPQZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.92
Rot. Bonds8

About 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol

2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol (PubChem CID 55016257) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
PubChem CID55016257
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O/c1-2-3-8-17(9-10-18)14(11-16)12-4-6-13(15)7-5-12/h4-7,14,18H,2-3,8-11,16H2,1H3
InChIKeyBYRPZIQUPYVPQZ-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749057
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol (CID 55016257) is 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol is CCCCN(CCO)C(CN)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol?
The InChIKey is BYRPZIQUPYVPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-2-3-8-17(9-10-18)14(11-16)12-4-6-13(15)7-5-12/h4-7,14,18H,2-3,8-11,16H2,1H3.
What are the key properties of 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol?
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol is sourced from PubChem (CID 55016257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).