N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline

C14H11F5N2 — CID 59229889

IUPACN-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline
SMILESNc1ccc(CNc2cc(F)c(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H11F5N2/c15-11-5-10(6-12(16)13(11)14(17,18)19)21-7-8-1-3-9(20)4-2-8/h1-6,21H,7,20H2
InChIKeyDLVGBHZVVLRJKL-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.18
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline

N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline (PubChem CID 59229889) has the molecular formula C14H11F5N2 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline
PubChem CID59229889
Molecular FormulaC14H11F5N2
Molecular Weight302.25 g/mol
Exact Mass302.08
IUPAC NameN-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline
SMILESNc1ccc(CNc2cc(F)c(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H11F5N2/c15-11-5-10(6-12(16)13(11)14(17,18)19)21-7-8-1-3-9(20)4-2-8/h1-6,21H,7,20H2
InChIKeyDLVGBHZVVLRJKL-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
N-[(4-aminophenyl)methyl]-3-ethoxy-4-(trifluoromethyl)aniline
CID 59231405
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115470
3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
CID 70839125
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969641
5-[(4-aminoanilino)methyl]benzene-1,3-diamine;hydrochloride
CID 23437151
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 60925358
1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
CID 143727087

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline (CID 59229889) is N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline is Nc1ccc(CNc2cc(F)c(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline?
The InChIKey is DLVGBHZVVLRJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2/c15-11-5-10(6-12(16)13(11)14(17,18)19)21-7-8-1-3-9(20)4-2-8/h1-6,21H,7,20H2.
What are the key properties of N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline?
N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline has a molecular weight of 302.25 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,5-difluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 59229889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).