3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C16H21NOS — CID 43739036

IUPAC3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCOc1c(C)ccc(NC(C)c2ccc(C)s2)c1C
InChIInChI=1S/C16H21NOS/c1-10-6-8-14(12(3)16(10)18-5)17-13(4)15-9-7-11(2)19-15/h6-9,13,17H,1-5H3
InChIKeyMTTQRRLSGRSZER-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.86
Rot. Bonds4

About 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 43739036) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID43739036
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCOc1c(C)ccc(NC(C)c2ccc(C)s2)c1C
InChIInChI=1S/C16H21NOS/c1-10-6-8-14(12(3)16(10)18-5)17-13(4)15-9-7-11(2)19-15/h6-9,13,17H,1-5H3
InChIKeyMTTQRRLSGRSZER-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
3-methoxy-2,4-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43739008
N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
CID 104652643
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
CID 43714447
2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43699655
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
CID 107714882
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
4-fluoro-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-2-nitroaniline
CID 133360060
N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
CID 43677299
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 43739036) is 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is COc1c(C)ccc(NC(C)c2ccc(C)s2)c1C.
What is the InChIKey of 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is MTTQRRLSGRSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-6-8-14(12(3)16(10)18-5)17-13(4)15-9-7-11(2)19-15/h6-9,13,17H,1-5H3.
What are the key properties of 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 275.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43739036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).