N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C16H18BrNOS — CID 115510619

IUPACN-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1sccc1Br)CC2
InChIInChI=1S/C16H18BrNOS/c1-19-14-5-3-11-2-4-13(8-12(11)9-14)18-10-16-15(17)6-7-20-16/h3,5-7,9,13,18H,2,4,8,10H2,1H3
InChIKeyXCLDUTSRUBTDQW-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.17
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510619) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510619
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1sccc1Br)CC2
InChIInChI=1S/C16H18BrNOS/c1-19-14-5-3-11-2-4-13(8-12(11)9-14)18-10-16-15(17)6-7-20-16/h3,5-7,9,13,18H,2,4,8,10H2,1H3
InChIKeyXCLDUTSRUBTDQW-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-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

7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510616
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
7-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 104584935
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
7-methoxy-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510271
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
7-methoxy-N-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114955055
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510599

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510619) is N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCc1sccc1Br)CC2.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XCLDUTSRUBTDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-19-14-5-3-11-2-4-13(8-12(11)9-14)18-10-16-15(17)6-7-20-16/h3,5-7,9,13,18H,2,4,8,10H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 352.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).