N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine

C13H14BrNS — CID 28833347

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cc(Br)cs2)cc1
InChIInChI=1S/C13H14BrNS/c1-10-2-4-11(5-3-10)7-15-8-13-6-12(14)9-16-13/h2-6,9,15H,7-8H2,1H3
InChIKeyICHUMUFUVJDMFF-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.11
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 28833347) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID28833347
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cc(Br)cs2)cc1
InChIInChI=1S/C13H14BrNS/c1-10-2-4-11(5-3-10)7-15-8-13-6-12(14)9-16-13/h2-6,9,15H,7-8H2,1H3
InChIKeyICHUMUFUVJDMFF-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 47331653
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66397930
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55089292
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
N-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]butanamide;hydrochloride
CID 47038944
2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
CID 60958224
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
5-[[(4-bromophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553080

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine (CID 28833347) is N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2cc(Br)cs2)cc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is ICHUMUFUVJDMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-10-2-4-11(5-3-10)7-15-8-13-6-12(14)9-16-13/h2-6,9,15H,7-8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 296.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 28833347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).