1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine

C17H16BrNOS — CID 115506218

IUPAC1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
SMILESCOc1ccc2cccc(CC(N)c3sccc3Br)c2c1
InChIInChI=1S/C17H16BrNOS/c1-20-13-6-5-11-3-2-4-12(14(11)10-13)9-16(19)17-15(18)7-8-21-17/h2-8,10,16H,9,19H2,1H3
InChIKeyIOJUMNSUACHRCW-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.91
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine

1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine (PubChem CID 115506218) has the molecular formula C17H16BrNOS and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
PubChem CID115506218
Molecular FormulaC17H16BrNOS
Molecular Weight362.29 g/mol
Exact Mass361.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
SMILESCOc1ccc2cccc(CC(N)c3sccc3Br)c2c1
InChIInChI=1S/C17H16BrNOS/c1-20-13-6-5-11-3-2-4-12(14(11)10-13)9-16(19)17-15(18)7-8-21-17/h2-8,10,16H,9,19H2,1H3
InChIKeyIOJUMNSUACHRCW-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225
2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
CID 83108000
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine (CID 115506218) is 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine is COc1ccc2cccc(CC(N)c3sccc3Br)c2c1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine?
The InChIKey is IOJUMNSUACHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNOS/c1-20-13-6-5-11-3-2-4-12(14(11)10-13)9-16(19)17-15(18)7-8-21-17/h2-8,10,16H,9,19H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine has a molecular weight of 362.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine is sourced from PubChem (CID 115506218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).