(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine

C14H11BrF3N — CID 104851108

IUPAC(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H11BrF3N/c1-7-2-8(4-9(15)3-7)14(19)13-11(17)5-10(16)6-12(13)18/h2-6,14H,19H2,1H3
InChIKeyKKLYUWGUTBSXOE-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine

(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 104851108) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID104851108
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H11BrF3N/c1-7-2-8(4-9(15)3-7)14(19)13-11(17)5-10(16)6-12(13)18/h2-6,14H,19H2,1H3
InChIKeyKKLYUWGUTBSXOE-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(2,6-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 79522334
(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044020
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
CID 107960534
[(3-bromo-5-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884654
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine (CID 104851108) is (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine is Cc1cc(Br)cc(C(N)c2c(F)cc(F)cc2F)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is KKLYUWGUTBSXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-2-8(4-9(15)3-7)14(19)13-11(17)5-10(16)6-12(13)18/h2-6,14H,19H2,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine?
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 104851108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).