1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine

C16H27FN2 — CID 62644284

IUPAC1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCC)c1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-11-18-16(10-13-19(3)12-5-2)14-8-6-7-9-15(14)17/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyGASONDXBRVIFSS-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.60
Rot. Bonds9

About 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine

1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine (PubChem CID 62644284) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
PubChem CID62644284
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCC)c1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-11-18-16(10-13-19(3)12-5-2)14-8-6-7-9-15(14)17/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyGASONDXBRVIFSS-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 115346847

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine (CID 62644284) is 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine is CCCNC(CCN(C)CCC)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
The InChIKey is GASONDXBRVIFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-11-18-16(10-13-19(3)12-5-2)14-8-6-7-9-15(14)17/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine?
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 62644284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).