1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C14H20F2N2O — CID 115524394

IUPAC1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CCCO1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2O/c15-14(16)11-5-3-10(4-6-11)13(8-17)18-9-12-2-1-7-19-12/h3-6,12-14,18H,1-2,7-9,17H2
InChIKeyCSRPAEMMHYYHBV-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.39
Rot. Bonds6

About 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 115524394) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID115524394
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CCCO1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2O/c15-14(16)11-5-3-10(4-6-11)13(8-17)18-9-12-2-1-7-19-12/h3-6,12-14,18H,1-2,7-9,17H2
InChIKeyCSRPAEMMHYYHBV-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 65379231
1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65376730
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 113328418
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 115524394) is 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is NCC(NCC1CCCO1)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CSRPAEMMHYYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-14(16)11-5-3-10(4-6-11)13(8-17)18-9-12-2-1-7-19-12/h3-6,12-14,18H,1-2,7-9,17H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 270.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115524394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).