1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine

C15H24F2N2O — CID 16794692

IUPAC1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CC(N)c1ccccc1OC(F)F
InChIInChI=1S/C15H24F2N2O/c1-3-9-19(10-4-2)11-13(18)12-7-5-6-8-14(12)20-15(16)17/h5-8,13,15H,3-4,9-11,18H2,1-2H3
InChIKeyCKDUDILWHMPGJD-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.41
Rot. Bonds9

About 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine

1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine (PubChem CID 16794692) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
PubChem CID16794692
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CC(N)c1ccccc1OC(F)F
InChIInChI=1S/C15H24F2N2O/c1-3-9-19(10-4-2)11-13(18)12-7-5-6-8-14(12)20-15(16)17/h5-8,13,15H,3-4,9-11,18H2,1-2H3
InChIKeyCKDUDILWHMPGJD-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
(1R)-1-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171211394
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine (CID 16794692) is 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CC(N)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine?
The InChIKey is CKDUDILWHMPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-3-9-19(10-4-2)11-13(18)12-7-5-6-8-14(12)20-15(16)17/h5-8,13,15H,3-4,9-11,18H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine has a molecular weight of 286.37 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 16794692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).