4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline

C14H20F2N2O — CID 107932790

IUPAC4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CN)c(F)c1F
InChIInChI=1S/C14H20F2N2O/c1-2-18(9-11-4-3-7-19-11)12-6-5-10(8-17)13(15)14(12)16/h5-6,11H,2-4,7-9,17H2,1H3
InChIKeyGSHVRCYTXYDNJA-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.43
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline

4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline (PubChem CID 107932790) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
PubChem CID107932790
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CN)c(F)c1F
InChIInChI=1S/C14H20F2N2O/c1-2-18(9-11-4-3-7-19-11)12-6-5-10(8-17)13(15)14(12)16/h5-6,11H,2-4,7-9,17H2,1H3
InChIKeyGSHVRCYTXYDNJA-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62125297
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
2-(bromomethyl)-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 107081294
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817012
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
4-[ethyl(oxolan-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286006
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
4-(aminomethyl)-N-(cyclobutylmethyl)-2,3-difluoro-N-methylaniline
CID 107932908
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849013
4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62122414

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline (CID 107932790) is 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline is CCN(CC1CCCO1)c1ccc(CN)c(F)c1F.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is GSHVRCYTXYDNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-18(9-11-4-3-7-19-11)12-6-5-10(8-17)13(15)14(12)16/h5-6,11H,2-4,7-9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline?
4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 270.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 107932790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).