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

C16H18FN — CID 114254476

IUPACN-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
SMILESCc1cccc(CNc2cccc(C)c2F)c1C
InChIInChI=1S/C16H18FN/c1-11-6-4-8-14(13(11)3)10-18-15-9-5-7-12(2)16(15)17/h4-9,18H,10H2,1-3H3
InChIKeyKTPRYPCECIEBMB-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.36
Rot. Bonds3

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

N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline (PubChem CID 114254476) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
PubChem CID114254476
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
SMILESCc1cccc(CNc2cccc(C)c2F)c1C
InChIInChI=1S/C16H18FN/c1-11-6-4-8-14(13(11)3)10-18-15-9-5-7-12(2)16(15)17/h4-9,18H,10H2,1-3H3
InChIKeyKTPRYPCECIEBMB-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-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 62809302
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
CID 114254482
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322
2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63446574
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline (CID 114254476) is N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline is Cc1cccc(CNc2cccc(C)c2F)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline?
The InChIKey is KTPRYPCECIEBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-6-4-8-14(13(11)3)10-18-15-9-5-7-12(2)16(15)17/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline?
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-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-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline is sourced from PubChem (CID 114254476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).