(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine

C12H11BrClNS — CID 107560292

IUPAC(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)cs2)cc1Cl
InChIInChI=1S/C12H11BrClNS/c1-7-2-3-8(4-10(7)14)12(15)11-5-9(13)6-16-11/h2-6,12H,15H2,1H3
InChIKeyKLWBLZPTQYQTQQ-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.52
Rot. Bonds2

About (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine

(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine (PubChem CID 107560292) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
PubChem CID107560292
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(Br)cs2)cc1Cl
InChIInChI=1S/C12H11BrClNS/c1-7-2-3-8(4-10(7)14)12(15)11-5-9(13)6-16-11/h2-6,12H,15H2,1H3
InChIKeyKLWBLZPTQYQTQQ-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
4-[amino-(4-bromothiophen-2-yl)methyl]-N-methylaniline
CID 116936887
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
(3-chloro-4-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107561932
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine (CID 107560292) is (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc(Br)cs2)cc1Cl.
What is the InChIKey of (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine?
The InChIKey is KLWBLZPTQYQTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-7-2-3-8(4-10(7)14)12(15)11-5-9(13)6-16-11/h2-6,12H,15H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine?
(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine has a molecular weight of 316.65 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 107560292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).