(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine

C17H12Br2FN — CID 79589918

IUPAC(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)cc1F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12Br2FN/c18-10-5-6-14(16(20)9-10)17(21)13-7-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H,21H2
InChIKeyHIJXGWCQUNMGFQ-UHFFFAOYSA-N
MW409.10 g/mol
LogP5.55
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine

(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine (PubChem CID 79589918) has the molecular formula C17H12Br2FN and a molecular weight of 409.10 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
PubChem CID79589918
Molecular FormulaC17H12Br2FN
Molecular Weight409.10 g/mol
Exact Mass406.93
IUPAC Name(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)cc1F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12Br2FN/c18-10-5-6-14(16(20)9-10)17(21)13-7-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H,21H2
InChIKeyHIJXGWCQUNMGFQ-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.10
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
CID 79589901
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine (CID 79589918) is (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine is NC(c1ccc(Br)cc1F)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
The InChIKey is HIJXGWCQUNMGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2FN/c18-10-5-6-14(16(20)9-10)17(21)13-7-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H,21H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine has a molecular weight of 409.10 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine is sourced from PubChem (CID 79589918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).