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

C16H25FN2O — CID 63649598

IUPACN-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1ccc(C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-19(11-14-5-4-8-20-14)16(10-18)13-7-6-12(2)15(17)9-13/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3
InChIKeyARZXOSITSDWMGN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.63
Rot. Bonds6

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

N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 63649598) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID63649598
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1ccc(C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-19(11-14-5-4-8-20-14)16(10-18)13-7-6-12(2)15(17)9-13/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3
InChIKeyARZXOSITSDWMGN-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433575
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
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
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
N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 107397769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 63649598) is N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CC1CCCO1)C(CN)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ARZXOSITSDWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19(11-14-5-4-8-20-14)16(10-18)13-7-6-12(2)15(17)9-13/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63649598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).