1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine

C13H13BrClNOS — CID 115634848

IUPAC1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
SMILESCOc1cccc(Cl)c1CNCc1cc(Br)cs1
InChIInChI=1S/C13H13BrClNOS/c1-17-13-4-2-3-12(15)11(13)7-16-6-10-5-9(14)8-18-10/h2-5,8,16H,6-7H2,1H3
InChIKeyQMWAWCQKIALBCL-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.46
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine

1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine (PubChem CID 115634848) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
PubChem CID115634848
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
SMILESCOc1cccc(Cl)c1CNCc1cc(Br)cs1
InChIInChI=1S/C13H13BrClNOS/c1-17-13-4-2-3-12(15)11(13)7-16-6-10-5-9(14)8-18-10/h2-5,8,16H,6-7H2,1H3
InChIKeyQMWAWCQKIALBCL-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4,5-dibromothiophen-2-yl)methanamine
CID 103292056
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681
1-(2-chloro-6-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115634865
N-[(4-bromothiophen-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60664778
N-[(4-bromothiophen-2-yl)methyl]-2-(2,6-dichlorophenoxy)ethanamine
CID 63517673
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine
CID 103292079
N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 79419514
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine (CID 115634848) is 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine is COc1cccc(Cl)c1CNCc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine?
The InChIKey is QMWAWCQKIALBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-17-13-4-2-3-12(15)11(13)7-16-6-10-5-9(14)8-18-10/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine?
1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine has a molecular weight of 346.68 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 115634848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).