N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine

C17H29FN2 — CID 62644965

IUPACN'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
SMILESCCCCN(CC)CCC(NCC)c1cccc(F)c1
InChIInChI=1S/C17H29FN2/c1-4-7-12-20(6-3)13-11-17(19-5-2)15-9-8-10-16(18)14-15/h8-10,14,17,19H,4-7,11-13H2,1-3H3
InChIKeyLNIWOASWEPYWGO-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.99
Rot. Bonds10

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

N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 62644965) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
PubChem CID62644965
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
SMILESCCCCN(CC)CCC(NCC)c1cccc(F)c1
InChIInChI=1S/C17H29FN2/c1-4-7-12-20(6-3)13-11-17(19-5-2)15-9-8-10-16(18)14-15/h8-10,14,17,19H,4-7,11-13H2,1-3H3
InChIKeyLNIWOASWEPYWGO-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
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
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643290
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
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
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine (CID 62644965) is N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine is CCCCN(CC)CCC(NCC)c1cccc(F)c1.
What is the InChIKey of N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is LNIWOASWEPYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-4-7-12-20(6-3)13-11-17(19-5-2)15-9-8-10-16(18)14-15/h8-10,14,17,19H,4-7,11-13H2,1-3H3.
What are the key properties of N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 62644965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).