1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine

C14H22F2N2 — CID 16794999

IUPAC1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1c(F)cccc1F
InChIInChI=1S/C14H22F2N2/c1-3-8-18(9-4-2)13(10-17)14-11(15)6-5-7-12(14)16/h5-7,13H,3-4,8-10,17H2,1-2H3
InChIKeyQINZBCZEBSRESI-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.09
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine

1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine (PubChem CID 16794999) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
PubChem CID16794999
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1c(F)cccc1F
InChIInChI=1S/C14H22F2N2/c1-3-8-18(9-4-2)13(10-17)14-11(15)6-5-7-12(14)16/h5-7,13H,3-4,8-10,17H2,1-2H3
InChIKeyQINZBCZEBSRESI-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269458
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 106528613
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine (CID 16794999) is 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is QINZBCZEBSRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-3-8-18(9-4-2)13(10-17)14-11(15)6-5-7-12(14)16/h5-7,13H,3-4,8-10,17H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine?
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 16794999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).