1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine

C19H18BrN — CID 81428889

IUPAC1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1cccc(Br)c1)c1c(C)ccc2ccccc12
InChIInChI=1S/C19H18BrN/c1-13-10-11-14-6-3-4-9-17(14)18(13)19(21-2)15-7-5-8-16(20)12-15/h3-12,19,21H,1-2H3
InChIKeyOJALTWKAESEJEI-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.22
Rot. Bonds3

About 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine

1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 81428889) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
PubChem CID81428889
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1cccc(Br)c1)c1c(C)ccc2ccccc12
InChIInChI=1S/C19H18BrN/c1-13-10-11-14-6-3-4-9-17(14)18(13)19(21-2)15-7-5-8-16(20)12-15/h3-12,19,21H,1-2H3
InChIKeyOJALTWKAESEJEI-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)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

1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81432132
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961216
1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 81431713
methyl N-[(3-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102512897
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961214
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 116952245
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (CID 81428889) is 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is CNC(c1cccc(Br)c1)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is OJALTWKAESEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-13-10-11-14-6-3-4-9-17(14)18(13)19(21-2)15-7-5-8-16(20)12-15/h3-12,19,21H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 340.26 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 81428889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).