(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine

C12H11Cl2NS — CID 79802256

IUPAC(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NS/c1-7-5-16-6-10(7)12(15)9-4-8(13)2-3-11(9)14/h2-6,12H,15H2,1H3
InChIKeyWBFCORSXRDZFBP-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.41
Rot. Bonds2

About (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine

(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 79802256) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
PubChem CID79802256
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NS/c1-7-5-16-6-10(7)12(15)9-4-8(13)2-3-11(9)14/h2-6,12H,15H2,1H3
InChIKeyWBFCORSXRDZFBP-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[chloro-(2,5-dichlorophenyl)methyl]-4-methylthiophene
CID 79807821
(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802254
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2-chloro-4,5-diethoxyphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79810158
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine
CID 43464792
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine (CID 79802256) is (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine is Cc1cscc1C(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is WBFCORSXRDZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c1-7-5-16-6-10(7)12(15)9-4-8(13)2-3-11(9)14/h2-6,12H,15H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine?
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine has a molecular weight of 272.20 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 79802256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).