N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine

C15H25FN2 — CID 62644081

IUPACN,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-4-17-15(10-11-18(5-2)6-3)13-8-7-9-14(16)12-13/h7-9,12,15,17H,4-6,10-11H2,1-3H3
InChIKeyFTAAXVRDESMNJM-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds8

About N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine

N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 62644081) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
PubChem CID62644081
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-4-17-15(10-11-18(5-2)6-3)13-8-7-9-14(16)12-13/h7-9,12,15,17H,4-6,10-11H2,1-3H3
InChIKeyFTAAXVRDESMNJM-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79380126
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine (CID 62644081) is N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine is CCNC(CCN(CC)CC)c1cccc(F)c1.
What is the InChIKey of N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is FTAAXVRDESMNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-17-15(10-11-18(5-2)6-3)13-8-7-9-14(16)12-13/h7-9,12,15,17H,4-6,10-11H2,1-3H3.
What are the key properties of N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine?
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 62644081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).