1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C14H19F2NO — CID 103743661

IUPAC1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2cccc(F)c2F)CCOCC1
InChIInChI=1S/C14H19F2NO/c1-14(5-7-18-8-6-14)10-17-9-11-3-2-4-12(15)13(11)16/h2-4,17H,5-10H2,1H3
InChIKeyKOVWVCOUKQJUET-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743661) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743661
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2cccc(F)c2F)CCOCC1
InChIInChI=1S/C14H19F2NO/c1-14(5-7-18-8-6-14)10-17-9-11-3-2-4-12(15)13(11)16/h2-4,17H,5-10H2,1H3
InChIKeyKOVWVCOUKQJUET-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103743564
3-fluoro-4-[[(4-methyloxan-4-yl)methylamino]methyl]aniline
CID 114125922
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743674
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743661) is 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCc2cccc(F)c2F)CCOCC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is KOVWVCOUKQJUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(5-7-18-8-6-14)10-17-9-11-3-2-4-12(15)13(11)16/h2-4,17H,5-10H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).