4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline

C15H17ClN2S — CID 79583191

IUPAC4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
SMILESCC1c2ccsc2CCN1Cc1cc(Cl)ccc1N
InChIInChI=1S/C15H17ClN2S/c1-10-13-5-7-19-15(13)4-6-18(10)9-11-8-12(16)2-3-14(11)17/h2-3,5,7-8,10H,4,6,9,17H2,1H3
InChIKeyUHNXNPUGAUWVOU-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.10
Rot. Bonds2

About 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline

4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline (PubChem CID 79583191) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
PubChem CID79583191
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
SMILESCC1c2ccsc2CCN1Cc1cc(Cl)ccc1N
InChIInChI=1S/C15H17ClN2S/c1-10-13-5-7-19-15(13)4-6-18(10)9-11-8-12(16)2-3-14(11)17/h2-3,5,7-8,10H,4,6,9,17H2,1H3
InChIKeyUHNXNPUGAUWVOU-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline with MolForge

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Related Compounds

[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine
CID 64767942
2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 55079205
5-chloro-6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 62892888
7-chloro-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751556
2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
CID 107274405
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582479
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine
CID 55010993
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
3-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarbothioamide
CID 114481875
6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 79243185
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65326163

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline (CID 79583191) is 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline is CC1c2ccsc2CCN1Cc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline?
The InChIKey is UHNXNPUGAUWVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-13-5-7-19-15(13)4-6-18(10)9-11-8-12(16)2-3-14(11)17/h2-3,5,7-8,10H,4,6,9,17H2,1H3.
What are the key properties of 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline?
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline has a molecular weight of 292.84 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline is sourced from PubChem (CID 79583191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).