1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine

C19H18BrN — CID 115354108

IUPAC1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H18BrN/c1-13-3-2-4-14(9-13)10-19(21)17-6-5-16-12-18(20)8-7-15(16)11-17/h2-9,11-12,19H,10,21H2,1H3
InChIKeyWNGMRLDEDOCPKJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.15
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine

1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 115354108) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
PubChem CID115354108
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H18BrN/c1-13-3-2-4-14(9-13)10-19(21)17-6-5-16-12-18(20)8-7-15(16)11-17/h2-9,11-12,19H,10,21H2,1H3
InChIKeyWNGMRLDEDOCPKJ-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine 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-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62389400
3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
CID 105141723
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
1-(6-bromonaphthalen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029613
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine (CID 115354108) is 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is WNGMRLDEDOCPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-13-3-2-4-14(9-13)10-19(21)17-6-5-16-12-18(20)8-7-15(16)11-17/h2-9,11-12,19H,10,21H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine?
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 340.26 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 115354108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).