(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine

C19H18BrN — CID 79589901

IUPAC(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C19H18BrN/c1-12-9-13(2)11-14(10-12)19(21)17-7-8-18(20)16-6-4-3-5-15(16)17/h3-11,19H,21H2,1-2H3
InChIKeyMMRRYOCNCPBVES-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.27
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine

(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine (PubChem CID 79589901) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
PubChem CID79589901
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C19H18BrN/c1-12-9-13(2)11-14(10-12)19(21)17-7-8-18(20)16-6-4-3-5-15(16)17/h3-11,19H,21H2,1-2H3
InChIKeyMMRRYOCNCPBVES-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020152
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
1,4-dibromonaphthalene
CID 162208061

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine (CID 79589901) is (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2ccc(Br)c3ccccc23)c1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is MMRRYOCNCPBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-12-9-13(2)11-14(10-12)19(21)17-7-8-18(20)16-6-4-3-5-15(16)17/h3-11,19H,21H2,1-2H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine?
(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 340.26 g/mol, XLogP of 5.27, 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)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 79589901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).