N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid

C15H13Cl2F3N2O2 — CID 89497330

IUPACN-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid
SMILESNCc1ccc(Nc2cccc(Cl)c2Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H12Cl2N2.C2HF3O2/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10;3-2(4,5)1(6)7/h1-7,17H,8,16H2;(H,6,7)
InChIKeyHVTVDXWHGSWMBY-UHFFFAOYSA-N
MW381.18 g/mol
LogP4.83
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid

N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid (PubChem CID 89497330) has the molecular formula C15H13Cl2F3N2O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid
PubChem CID89497330
Molecular FormulaC15H13Cl2F3N2O2
Molecular Weight381.18 g/mol
Exact Mass380.03
IUPAC NameN-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid
SMILESNCc1ccc(Nc2cccc(Cl)c2Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H12Cl2N2.C2HF3O2/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10;3-2(4,5)1(6)7/h1-7,17H,8,16H2;(H,6,7)
InChIKeyHVTVDXWHGSWMBY-UHFFFAOYSA-N
XLogP4.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)anilino]-6-fluorobenzonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87076025
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
CID 112989692
(4-ethylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 70207197
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695
2,3-dichloro-N-(3,4-difluorophenyl)aniline
CID 82536860
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid (CID 89497330) is N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid is NCc1ccc(Nc2cccc(Cl)c2Cl)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid?
The InChIKey is HVTVDXWHGSWMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2.C2HF3O2/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10;3-2(4,5)1(6)7/h1-7,17H,8,16H2;(H,6,7).
What are the key properties of N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid?
N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid has a molecular weight of 381.18 g/mol, XLogP of 4.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 89497330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).