(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine

C17H21Cl2NS — CID 107960514

IUPAC(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCC(C)c1ccc(C(N)c2cc(Cl)sc2Cl)c(C(C)C)c1
InChIInChI=1S/C17H21Cl2NS/c1-9(2)11-5-6-12(13(7-11)10(3)4)16(20)14-8-15(18)21-17(14)19/h5-10,16H,20H2,1-4H3
InChIKeyDSMYNYKSAIQKQY-UHFFFAOYSA-N
MW342.34 g/mol
LogP6.35
Rot. Bonds4

About (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine

(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine (PubChem CID 107960514) has the molecular formula C17H21Cl2NS and a molecular weight of 342.34 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
PubChem CID107960514
Molecular FormulaC17H21Cl2NS
Molecular Weight342.34 g/mol
Exact Mass341.08
IUPAC Name(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCC(C)c1ccc(C(N)c2cc(Cl)sc2Cl)c(C(C)C)c1
InChIInChI=1S/C17H21Cl2NS/c1-9(2)11-5-6-12(13(7-11)10(3)4)16(20)14-8-15(18)21-17(14)19/h5-10,16H,20H2,1-4H3
InChIKeyDSMYNYKSAIQKQY-UHFFFAOYSA-N
XLogP6.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107960554
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107961289
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine (CID 107960514) is (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine is CC(C)c1ccc(C(N)c2cc(Cl)sc2Cl)c(C(C)C)c1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The InChIKey is DSMYNYKSAIQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NS/c1-9(2)11-5-6-12(13(7-11)10(3)4)16(20)14-8-15(18)21-17(14)19/h5-10,16H,20H2,1-4H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine has a molecular weight of 342.34 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine is sourced from PubChem (CID 107960514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).