(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine

C12H11Br2NOS — CID 63797566

IUPAC(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Br)c(Br)c1
InChIInChI=1S/C12H11Br2NOS/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6,11H,15H2,1H3
InChIKeyQTHUUGHAPRFUCW-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.33
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine

(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine (PubChem CID 63797566) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
PubChem CID63797566
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Br)c(Br)c1
InChIInChI=1S/C12H11Br2NOS/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6,11H,15H2,1H3
InChIKeyQTHUUGHAPRFUCW-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromo-4-methoxyphenyl)-(3-bromothiophen-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

(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 63796523
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
(3-bromothiophen-2-yl)-(2,4-difluorophenyl)methanamine
CID 63798437
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine (CID 63797566) is (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine is COc1ccc(C(N)c2sccc2Br)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
The InChIKey is QTHUUGHAPRFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6,11H,15H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine has a molecular weight of 377.10 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 63797566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).