3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline

C16H18FN — CID 43101633

IUPAC3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccccc2C)cc1F
InChIInChI=1S/C16H18FN/c1-11-6-4-5-7-15(11)13(3)18-14-9-8-12(2)16(17)10-14/h4-10,13,18H,1-3H3
InChIKeyMTWKXMZMHXRTCM-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.62
Rot. Bonds3

About 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline

3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline (PubChem CID 43101633) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
PubChem CID43101633
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccccc2C)cc1F
InChIInChI=1S/C16H18FN/c1-11-6-4-5-7-15(11)13(3)18-14-9-8-12(2)16(17)10-14/h4-10,13,18H,1-3H3
InChIKeyMTWKXMZMHXRTCM-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
CID 43099518
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
CID 102867861
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 102815738

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline (CID 43101633) is 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline is Cc1ccc(NC(C)c2ccccc2C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
The InChIKey is MTWKXMZMHXRTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-6-4-5-7-15(11)13(3)18-14-9-8-12(2)16(17)10-14/h4-10,13,18H,1-3H3.
What are the key properties of 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline has a molecular weight of 243.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43101633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).