N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H12BrF3N2O — CID 43677154

IUPACN-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2cccc(Br)c2)cn1
InChIInChI=1S/C14H12BrF3N2O/c15-11-3-1-2-10(6-11)7-19-12-4-5-13(20-8-12)21-9-14(16,17)18/h1-6,8,19H,7,9H2
InChIKeyMRQCAQPHWNDDAY-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.40
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677154) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677154
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC NameN-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2cccc(Br)c2)cn1
InChIInChI=1S/C14H12BrF3N2O/c15-11-3-1-2-10(6-11)7-19-12-4-5-13(20-8-12)21-9-14(16,17)18/h1-6,8,19H,7,9H2
InChIKeyMRQCAQPHWNDDAY-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677152
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
N-[(4-methylsulfinylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 75386395
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
N-[1-(4-bromothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 107353984
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411
5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
CID 133318043
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677154) is N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NCc2cccc(Br)c2)cn1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is MRQCAQPHWNDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c15-11-3-1-2-10(6-11)7-19-12-4-5-13(20-8-12)21-9-14(16,17)18/h1-6,8,19H,7,9H2.
What are the key properties of N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 361.16 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).