4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

C18H20BrN — CID 63772262

IUPAC4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESCc1cc(Br)ccc1NCC1CCCc2ccccc21
InChIInChI=1S/C18H20BrN/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,20H,4,6-7,12H2,1H3
InChIKeyDYOUSVHLGCEJCG-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.29
Rot. Bonds3

About 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline

4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (PubChem CID 63772262) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
PubChem CID63772262
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
SMILESCc1cc(Br)ccc1NCC1CCCc2ccccc21
InChIInChI=1S/C18H20BrN/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,20H,4,6-7,12H2,1H3
InChIKeyDYOUSVHLGCEJCG-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline 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-fluoro-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772264
5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771421
2,5-difluoro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 103585674
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
3-chloro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771573
2-bromo-6-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107611468
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 63773341

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline (CID 63772262) is 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is Cc1cc(Br)ccc1NCC1CCCc2ccccc21.
What is the InChIKey of 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
The InChIKey is DYOUSVHLGCEJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8-11,15,20H,4,6-7,12H2,1H3.
What are the key properties of 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline?
4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline has a molecular weight of 330.27 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 63772262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).