1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C15H18BrNOS — CID 29222692

IUPAC1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCCOc1ccc(CNCc2cccs2)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-2-7-18-15-6-5-12(9-14(15)16)10-17-11-13-4-3-8-19-13/h3-6,8-9,17H,2,7,10-11H2,1H3
InChIKeyBMGHZALXEYEPAW-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.59
Rot. Bonds7

About 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 29222692) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID29222692
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCCOc1ccc(CNCc2cccs2)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-2-7-18-15-6-5-12(9-14(15)16)10-17-11-13-4-3-8-19-13/h3-6,8-9,17H,2,7,10-11H2,1H3
InChIKeyBMGHZALXEYEPAW-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63776384
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
1-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54850202
N-[(3-bromo-4-propoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29222849
N-[(3-bromo-4-propoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 29241395
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267851
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
N-[[3-bromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450099
2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63773539
N-[(3-bromo-4-propoxyphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 29241414
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 29222692) is 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is CCCOc1ccc(CNCc2cccs2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BMGHZALXEYEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-2-7-18-15-6-5-12(9-14(15)16)10-17-11-13-4-3-8-19-13/h3-6,8-9,17H,2,7,10-11H2,1H3.
What are the key properties of 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 340.29 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 29222692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).