1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H22F2N2O — CID 61433575

IUPAC1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-2-19(10-12-4-3-7-20-12)15(9-18)11-5-6-13(16)14(17)8-11/h5-6,8,12,15H,2-4,7,9-10,18H2,1H3
InChIKeyGJLJOUFSRBAAHZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.47
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61433575) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61433575
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-2-19(10-12-4-3-7-20-12)15(9-18)11-5-6-13(16)14(17)8-11/h5-6,8,12,15H,2-4,7,9-10,18H2,1H3
InChIKeyGJLJOUFSRBAAHZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63208354
N-ethyl-1-(furan-2-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433626
N-methyl-N-(oxolan-2-ylmethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052460
1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433486
1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63955133
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 62121838

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61433575) is 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CC1CCCO1)C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GJLJOUFSRBAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-2-19(10-12-4-3-7-20-12)15(9-18)11-5-6-13(16)14(17)8-11/h5-6,8,12,15H,2-4,7,9-10,18H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 284.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61433575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).