4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline

C13H18F2N2O — CID 63077663

IUPAC4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCN(CC1CCCO1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H18F2N2O/c1-17(8-10-3-2-4-18-10)13-11(14)5-9(7-16)6-12(13)15/h5-6,10H,2-4,7-8,16H2,1H3
InChIKeyIERCIDDKVVWNOJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.04
Rot. Bonds4

About 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline

4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 63077663) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID63077663
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCN(CC1CCCO1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H18F2N2O/c1-17(8-10-3-2-4-18-10)13-11(14)5-9(7-16)6-12(13)15/h5-6,10H,2-4,7-8,16H2,1H3
InChIKeyIERCIDDKVVWNOJ-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 79190871
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63059542
6-fluoro-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 115416622
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
N-methyl-N-(oxolan-2-ylmethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052460
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
N-ethyl-2,6-difluoro-4-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 63076269

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 63077663) is 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline is CN(CC1CCCO1)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is IERCIDDKVVWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-17(8-10-3-2-4-18-10)13-11(14)5-9(7-16)6-12(13)15/h5-6,10H,2-4,7-8,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 256.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 63077663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).