1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

C16H26ClFN2 — CID 105395205

IUPAC1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cc(F)ccc1Cl
InChIInChI=1S/C16H26ClFN2/c1-4-10-19-16(9-11-20(5-2)6-3)14-12-13(18)7-8-15(14)17/h7-8,12,16,19H,4-6,9-11H2,1-3H3
InChIKeyZJYHEFYSSJRNKJ-UHFFFAOYSA-N
MW300.85 g/mol
LogP4.25
Rot. Bonds9

About 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (PubChem CID 105395205) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
PubChem CID105395205
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cc(F)ccc1Cl
InChIInChI=1S/C16H26ClFN2/c1-4-10-19-16(9-11-20(5-2)6-3)14-12-13(18)7-8-15(14)17/h7-8,12,16,19H,4-6,9-11H2,1-3H3
InChIKeyZJYHEFYSSJRNKJ-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79093220
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 82770289
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216525
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (CID 105395205) is 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)CC)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The InChIKey is ZJYHEFYSSJRNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClFN2/c1-4-10-19-16(9-11-20(5-2)6-3)14-12-13(18)7-8-15(14)17/h7-8,12,16,19H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine has a molecular weight of 300.85 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 105395205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).