(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine

C14H11Br2ClFN — CID 107982138

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc(Cl)c(Br)cc2F)c1Br
InChIInChI=1S/C14H11Br2ClFN/c1-7-3-2-4-8(13(7)16)14(19)9-5-11(17)10(15)6-12(9)18/h2-6,14H,19H2,1H3
InChIKeySQNRDEKAQVPFPB-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.36
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine (PubChem CID 107982138) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
PubChem CID107982138
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc(Cl)c(Br)cc2F)c1Br
InChIInChI=1S/C14H11Br2ClFN/c1-7-3-2-4-8(13(7)16)14(19)9-5-11(17)10(15)6-12(9)18/h2-6,14H,19H2,1H3
InChIKeySQNRDEKAQVPFPB-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine (CID 107982138) is (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine is Cc1cccc(C(N)c2cc(Cl)c(Br)cc2F)c1Br.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
The InChIKey is SQNRDEKAQVPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c1-7-3-2-4-8(13(7)16)14(19)9-5-11(17)10(15)6-12(9)18/h2-6,14H,19H2,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine has a molecular weight of 407.51 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine is sourced from PubChem (CID 107982138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).