(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine

C13H14BrNS — CID 104851096

IUPAC(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1cc(Br)cc(C(N)c2ccc(C)s2)c1
InChIInChI=1S/C13H14BrNS/c1-8-5-10(7-11(14)6-8)13(15)12-4-3-9(2)16-12/h3-7,13H,15H2,1-2H3
InChIKeyPVECDHAUCMNDNT-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.18
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine

(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 104851096) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID104851096
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1cc(Br)cc(C(N)c2ccc(C)s2)c1
InChIInChI=1S/C13H14BrNS/c1-8-5-10(7-11(14)6-8)13(15)12-4-3-9(2)16-12/h3-7,13H,15H2,1-2H3
InChIKeyPVECDHAUCMNDNT-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104851227
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanamine
CID 104541545
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083
(2-methyl-4-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 106755531
(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107950502
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
1-(3-bromo-5-methylphenyl)prop-2-yn-1-amine
CID 104995623

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine (CID 104851096) is (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine is Cc1cc(Br)cc(C(N)c2ccc(C)s2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is PVECDHAUCMNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-8-5-10(7-11(14)6-8)13(15)12-4-3-9(2)16-12/h3-7,13H,15H2,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine?
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 296.23 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 104851096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).