1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine

C13H14BrNS — CID 60646316

IUPAC1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCN(Cc1cccc(Br)c1)Cc1cccs1
InChIInChI=1S/C13H14BrNS/c1-15(10-13-6-3-7-16-13)9-11-4-2-5-12(14)8-11/h2-8H,9-10H2,1H3
InChIKeyLWNFTKXMCTZFBE-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine

1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 60646316) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID60646316
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCN(Cc1cccc(Br)c1)Cc1cccs1
InChIInChI=1S/C13H14BrNS/c1-15(10-13-6-3-7-16-13)9-11-4-2-5-12(14)8-11/h2-8H,9-10H2,1H3
InChIKeyLWNFTKXMCTZFBE-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485743
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
1-(3-bromophenyl)-N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylmethanamine
CID 61416017
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 43527635

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine (CID 60646316) is 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine is CN(Cc1cccc(Br)c1)Cc1cccs1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is LWNFTKXMCTZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-15(10-13-6-3-7-16-13)9-11-4-2-5-12(14)8-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine?
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 296.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 60646316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).