1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H19BrN2OS — CID 43527436

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)N(C)Cc1cccs1
InChIInChI=1S/C15H19BrN2OS/c1-18(10-12-4-3-7-20-12)14(9-17)13-8-11(16)5-6-15(13)19-2/h3-8,14H,9-10,17H2,1-2H3
InChIKeyASPWFWLREVHSRM-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.65
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43527436) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID43527436
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)N(C)Cc1cccs1
InChIInChI=1S/C15H19BrN2OS/c1-18(10-12-4-3-7-20-12)14(9-17)13-8-11(16)5-6-15(13)19-2/h3-8,14H,9-10,17H2,1-2H3
InChIKeyASPWFWLREVHSRM-UHFFFAOYSA-N
XLogP3.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527387
1-(5-bromo-2-methoxyphenyl)-N-butyl-N-methylethane-1,2-diamine
CID 43141158
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81059414
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658610
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571921
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471465
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
1-(5-bromo-2-methoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273515
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 43527436) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is COc1ccc(Br)cc1C(CN)N(C)Cc1cccs1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ASPWFWLREVHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-18(10-12-4-3-7-20-12)14(9-17)13-8-11(16)5-6-15(13)19-2/h3-8,14H,9-10,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 355.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43527436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).