2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol

C14H23FN2O — CID 55099062

IUPAC2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
SMILESCCNC(CCN(C)CCO)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-3-16-14(7-8-17(2)9-10-18)12-5-4-6-13(15)11-12/h4-6,11,14,16,18H,3,7-10H2,1-2H3
InChIKeyNWXHAMNPOMCMDK-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.79
Rot. Bonds8

About 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol

2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol (PubChem CID 55099062) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
PubChem CID55099062
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
SMILESCCNC(CCN(C)CCO)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-3-16-14(7-8-17(2)9-10-18)12-5-4-6-13(15)11-12/h4-6,11,14,16,18H,3,7-10H2,1-2H3
InChIKeyNWXHAMNPOMCMDK-UHFFFAOYSA-N
XLogP1.79
TPSA35.50 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79380126
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
CID 104554627
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol?
The IUPAC name of 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol (CID 55099062) is 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol?
The canonical SMILES for 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol is CCNC(CCN(C)CCO)c1cccc(F)c1.
What is the InChIKey of 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol?
The InChIKey is NWXHAMNPOMCMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-16-14(7-8-17(2)9-10-18)12-5-4-6-13(15)11-12/h4-6,11,14,16,18H,3,7-10H2,1-2H3.
What are the key properties of 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol?
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol is sourced from PubChem (CID 55099062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).