1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine

C17H23NOS — CID 60907942

IUPAC1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)c(OCc2cccs2)c(C)c1
InChIInChI=1S/C17H23NOS/c1-4-15(18)10-14-8-12(2)17(13(3)9-14)19-11-16-6-5-7-20-16/h5-9,15H,4,10-11,18H2,1-3H3
InChIKeyRULJLSFTMXWORA-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.22
Rot. Bonds6

About 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine

1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60907942) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
PubChem CID60907942
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)c(OCc2cccs2)c(C)c1
InChIInChI=1S/C17H23NOS/c1-4-15(18)10-14-8-12(2)17(13(3)9-14)19-11-16-6-5-7-20-16/h5-9,15H,4,10-11,18H2,1-3H3
InChIKeyRULJLSFTMXWORA-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
1-(4-but-2-ynoxy-3,5-dimethylphenyl)butan-2-amine
CID 62311991
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136573
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
CID 79882803

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine (CID 60907942) is 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(C)c(OCc2cccs2)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is RULJLSFTMXWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-15(18)10-14-8-12(2)17(13(3)9-14)19-11-16-6-5-7-20-16/h5-9,15H,4,10-11,18H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60907942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).