N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline

C16H18FN — CID 78997610

IUPACN-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(NCc2c(C)cccc2C)cc1F
InChIInChI=1S/C16H18FN/c1-11-5-4-6-12(2)15(11)10-18-14-8-7-13(3)16(17)9-14/h4-9,18H,10H2,1-3H3
InChIKeyBWZKXITWRQFKIJ-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.36
Rot. Bonds3

About N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline

N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline (PubChem CID 78997610) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
PubChem CID78997610
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
SMILESCc1ccc(NCc2c(C)cccc2C)cc1F
InChIInChI=1S/C16H18FN/c1-11-5-4-6-12(2)15(11)10-18-14-8-7-13(3)16(17)9-14/h4-9,18H,10H2,1-3H3
InChIKeyBWZKXITWRQFKIJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
N-[(2-chloro-6-nitrophenyl)methyl]-3-fluoro-4-methylaniline
CID 63745960
3-fluoro-4-methyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327524
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline
CID 43552216
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
CID 112553733
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009
N'-tert-butyl-N-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 107444586
3-fluoro-N-(2-fluorobutyl)-4-methylaniline
CID 130662936
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
N-decyl-3-fluoro-4-methylaniline
CID 63488478
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline (CID 78997610) is N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline is Cc1ccc(NCc2c(C)cccc2C)cc1F.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
The InChIKey is BWZKXITWRQFKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-5-4-6-12(2)15(11)10-18-14-8-7-13(3)16(17)9-14/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline?
N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline has a molecular weight of 243.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 78997610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).