1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine

C15H18BrNOS — CID 105144257

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2csc(Br)c2)cc1
InChIInChI=1S/C15H18BrNOS/c1-3-8-18-13-6-4-11(5-7-13)15(17-2)12-9-14(16)19-10-12/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyPNVLGZDDTWNWFW-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.61
Rot. Bonds6

About 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 105144257) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID105144257
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2csc(Br)c2)cc1
InChIInChI=1S/C15H18BrNOS/c1-3-8-18-13-6-4-11(5-7-13)15(17-2)12-9-14(16)19-10-12/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyPNVLGZDDTWNWFW-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
N-[(3-bromo-4-propoxyphenyl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107961353
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 82732624
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 105144257) is 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2csc(Br)c2)cc1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is PNVLGZDDTWNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-8-18-13-6-4-11(5-7-13)15(17-2)12-9-14(16)19-10-12/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 340.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 105144257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).