(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine

C17H12BrClFN — CID 79589880

IUPAC(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12BrClFN/c18-15-7-6-13(11-3-1-2-4-12(11)15)17(21)14-9-10(19)5-8-16(14)20/h1-9,17H,21H2
InChIKeyYSPQESWMCVYVPX-UHFFFAOYSA-N
MW364.65 g/mol
LogP5.44
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine

(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine (PubChem CID 79589880) has the molecular formula C17H12BrClFN and a molecular weight of 364.65 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
PubChem CID79589880
Molecular FormulaC17H12BrClFN
Molecular Weight364.65 g/mol
Exact Mass362.98
IUPAC Name(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12BrClFN/c18-15-7-6-13(11-3-1-2-4-12(11)15)17(21)14-9-10(19)5-8-16(14)20/h1-9,17H,21H2
InChIKeyYSPQESWMCVYVPX-UHFFFAOYSA-N
XLogP5.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
CID 79589901
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine (CID 79589880) is (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine is NC(c1cc(Cl)ccc1F)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine?
The InChIKey is YSPQESWMCVYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN/c18-15-7-6-13(11-3-1-2-4-12(11)15)17(21)14-9-10(19)5-8-16(14)20/h1-9,17H,21H2.
What are the key properties of (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine?
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine has a molecular weight of 364.65 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 79589880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).