(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine

C17H12BrCl2N — CID 79589877

IUPAC(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12BrCl2N/c18-14-9-8-12(10-4-1-2-5-11(10)14)17(21)13-6-3-7-15(19)16(13)20/h1-9,17H,21H2
InChIKeyKLJGAHXWWUDRRE-UHFFFAOYSA-N
MW381.10 g/mol
LogP5.96
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine

(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine (PubChem CID 79589877) has the molecular formula C17H12BrCl2N and a molecular weight of 381.10 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
PubChem CID79589877
Molecular FormulaC17H12BrCl2N
Molecular Weight381.10 g/mol
Exact Mass378.95
IUPAC Name(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12BrCl2N/c18-14-9-8-12(10-4-1-2-5-11(10)14)17(21)13-6-3-7-15(19)16(13)20/h1-9,17H,21H2
InChIKeyKLJGAHXWWUDRRE-UHFFFAOYSA-N
XLogP5.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.10
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
CID 79590906
(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
CID 79589901
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470
(2,3-dichlorophenyl)methanediamine
CID 139660481
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine?
The IUPAC name of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine (CID 79589877) is (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine is NC(c1cccc(Cl)c1Cl)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine?
The InChIKey is KLJGAHXWWUDRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N/c18-14-9-8-12(10-4-1-2-5-11(10)14)17(21)13-6-3-7-15(19)16(13)20/h1-9,17H,21H2.
What are the key properties of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine?
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine has a molecular weight of 381.10 g/mol, XLogP of 5.96, 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)-(2,3-dichlorophenyl)methanamine is sourced from PubChem (CID 79589877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).