N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline

C15H14F4N2 — CID 107303372

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESNCc1cccc(CNc2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C15H14F4N2/c16-13-7-12(15(17,18)19)4-5-14(13)21-9-11-3-1-2-10(6-11)8-20/h1-7,21H,8-9,20H2
InChIKeyLHAMPZGEKUPMHB-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.92
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline

N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107303372) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107303372
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESNCc1cccc(CNc2ccc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C15H14F4N2/c16-13-7-12(15(17,18)19)4-5-14(13)21-9-11-3-1-2-10(6-11)8-20/h1-7,21H,8-9,20H2
InChIKeyLHAMPZGEKUPMHB-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine
CID 143693932
[3-[[2-bromo-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115512029
1-N-[(3-chlorophenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 62537577
2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 69011759
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
CID 152566871
2-iodo-1-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 66093731
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304222

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline (CID 107303372) is N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline is NCc1cccc(CNc2ccc(C(F)(F)F)cc2F)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is LHAMPZGEKUPMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c16-13-7-12(15(17,18)19)4-5-14(13)21-9-11-3-1-2-10(6-11)8-20/h1-7,21H,8-9,20H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 298.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107303372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).