N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C13H10BrF3N2 — CID 66329838

IUPACN-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrF3N2/c14-11-3-1-9(2-4-11)8-19-12-7-10(5-6-18-12)13(15,16)17/h1-7H,8H2,(H,18,19)
InChIKeyCBCPTTAUFBXUOU-UHFFFAOYSA-N
MW331.14 g/mol
LogP4.47
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66329838) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66329838
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC NameN-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(Br)cc2)c1
InChIInChI=1S/C13H10BrF3N2/c14-11-3-1-9(2-4-11)8-19-12-7-10(5-6-18-12)13(15,16)17/h1-7H,8H2,(H,18,19)
InChIKeyCBCPTTAUFBXUOU-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133385182
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66329838) is N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCc2ccc(Br)cc2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CBCPTTAUFBXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c14-11-3-1-9(2-4-11)8-19-12-7-10(5-6-18-12)13(15,16)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 331.14 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66329838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).