N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline

C15H19NS — CID 54977763

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2cc(C)sc2C)c1
InChIInChI=1S/C15H19NS/c1-10-5-11(2)7-15(6-10)16-9-14-8-12(3)17-13(14)4/h5-8,16H,9H2,1-4H3
InChIKeyAMQYGFBKYSUIJG-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.59
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline

N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline (PubChem CID 54977763) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
PubChem CID54977763
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2cc(C)sc2C)c1
InChIInChI=1S/C15H19NS/c1-10-5-11(2)7-15(6-10)16-9-14-8-12(3)17-13(14)4/h5-8,16H,9H2,1-4H3
InChIKeyAMQYGFBKYSUIJG-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
CID 107587733
3,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 63422661
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418333
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-5-methylaniline
CID 82761487
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-fluoroaniline
CID 54977814
5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 54977767
N-[(2,5-dimethylthiophen-3-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 63443500
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626
3-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methylaniline
CID 107629769
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline (CID 54977763) is N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCc2cc(C)sc2C)c1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline?
The InChIKey is AMQYGFBKYSUIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-5-11(2)7-15(6-10)16-9-14-8-12(3)17-13(14)4/h5-8,16H,9H2,1-4H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline?
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline has a molecular weight of 245.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 54977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).