N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H18BrNS — CID 115418492

IUPACN-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCc2sccc2Br)c2ccccc21
InChIInChI=1S/C16H18BrNS/c1-11-6-7-15(13-5-3-2-4-12(11)13)18-10-16-14(17)8-9-19-16/h2-5,8-9,11,15,18H,6-7,10H2,1H3
InChIKeyORNLERDZSKUALZ-UHFFFAOYSA-N
MW336.30 g/mol
LogP5.24
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418492) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418492
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCc2sccc2Br)c2ccccc21
InChIInChI=1S/C16H18BrNS/c1-11-6-7-15(13-5-3-2-4-12(11)13)18-10-16-14(17)8-9-19-16/h2-5,8-9,11,15,18H,6-7,10H2,1H3
InChIKeyORNLERDZSKUALZ-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine 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-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252511
N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
CID 63488961
4-methyl-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418179
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81343852
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81326890
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301213
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 123762317
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104756829

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418492) is N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NCc2sccc2Br)c2ccccc21.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ORNLERDZSKUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-11-6-7-15(13-5-3-2-4-12(11)13)18-10-16-14(17)8-9-19-16/h2-5,8-9,11,15,18H,6-7,10H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 336.30 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).