2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline

C16H19FN2 — CID 82300597

IUPAC2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccccc1Nc1cccc(F)c1CN
InChIInChI=1S/C16H19FN2/c1-11(2)12-6-3-4-8-15(12)19-16-9-5-7-14(17)13(16)10-18/h3-9,11,19H,10,18H2,1-2H3
InChIKeyJNEAGBFGXRNWTM-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.15
Rot. Bonds4

About 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline

2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline (PubChem CID 82300597) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline
PubChem CID82300597
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccccc1Nc1cccc(F)c1CN
InChIInChI=1S/C16H19FN2/c1-11(2)12-6-3-4-8-15(12)19-16-9-5-7-14(17)13(16)10-18/h3-9,11,19H,10,18H2,1-2H3
InChIKeyJNEAGBFGXRNWTM-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
CID 82297673
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
(2S)-2-[2-(aminomethyl)-3-fluoroanilino]-3-methylbutan-1-ol
CID 79517811
methyl 4-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476605
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
CID 55086406
2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
CID 95483003
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
methyl 3-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476603
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline (CID 82300597) is 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline is CC(C)c1ccccc1Nc1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline?
The InChIKey is JNEAGBFGXRNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11(2)12-6-3-4-8-15(12)19-16-9-5-7-14(17)13(16)10-18/h3-9,11,19H,10,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline?
2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline has a molecular weight of 258.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline is sourced from PubChem (CID 82300597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).