N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H20BrNOS — CID 106042610

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCc1ccc(Br)s1)CCC2
InChIInChI=1S/C17H20BrNOS/c1-20-13-6-5-12-3-2-4-16(15(12)11-13)19-10-9-14-7-8-17(18)21-14/h5-8,11,16,19H,2-4,9-10H2,1H3
InChIKeyAKCCEQKCQHPGIM-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.73
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106042610) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106042610
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCc1ccc(Br)s1)CCC2
InChIInChI=1S/C17H20BrNOS/c1-20-13-6-5-12-3-2-4-16(15(12)11-13)19-10-9-14-7-8-17(18)21-14/h5-8,11,16,19H,2-4,9-10H2,1H3
InChIKeyAKCCEQKCQHPGIM-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917393
N-[(4-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248439
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103931495
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
7-methoxy-N-[2-(oxolan-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104537990
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 103780471
N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106042610) is N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCCc1ccc(Br)s1)CCC2.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AKCCEQKCQHPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-20-13-6-5-12-3-2-4-16(15(12)11-13)19-10-9-14-7-8-17(18)21-14/h5-8,11,16,19H,2-4,9-10H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 366.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106042610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).