(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine

C17H12Br2ClN — CID 81291209

IUPAC(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12Br2ClN/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(21)10-5-7-15(19)16(20)9-10/h1-9,17H,21H2
InChIKeyBZCWAJBUNOGIFQ-UHFFFAOYSA-N
MW425.55 g/mol
LogP6.07
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine

(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine (PubChem CID 81291209) has the molecular formula C17H12Br2ClN and a molecular weight of 425.55 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
PubChem CID81291209
Molecular FormulaC17H12Br2ClN
Molecular Weight425.55 g/mol
Exact Mass422.90
IUPAC Name(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H12Br2ClN/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(21)10-5-7-15(19)16(20)9-10/h1-9,17H,21H2
InChIKeyBZCWAJBUNOGIFQ-UHFFFAOYSA-N
XLogP6.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
CID 79589901
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine (CID 81291209) is (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine is NC(c1ccc(Br)c(Cl)c1)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
The InChIKey is BZCWAJBUNOGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2ClN/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(21)10-5-7-15(19)16(20)9-10/h1-9,17H,21H2.
What are the key properties of (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine?
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine has a molecular weight of 425.55 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine is sourced from PubChem (CID 81291209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).