1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine

C18H25NS — CID 115856849

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine
SMILESCCNC(CCc1ccsc1)Cc1cc(C)ccc1C
InChIInChI=1S/C18H25NS/c1-4-19-18(8-7-16-9-10-20-13-16)12-17-11-14(2)5-6-15(17)3/h5-6,9-11,13,18-19H,4,7-8,12H2,1-3H3
InChIKeyFMQQRGGQGKSWNH-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.52
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine

1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 115856849) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine
PubChem CID115856849
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine
SMILESCCNC(CCc1ccsc1)Cc1cc(C)ccc1C
InChIInChI=1S/C18H25NS/c1-4-19-18(8-7-16-9-10-20-13-16)12-17-11-14(2)5-6-15(17)3/h5-6,9-11,13,18-19H,4,7-8,12H2,1-3H3
InChIKeyFMQQRGGQGKSWNH-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine (CID 115856849) is 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine is CCNC(CCc1ccsc1)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is FMQQRGGQGKSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-19-18(8-7-16-9-10-20-13-16)12-17-11-14(2)5-6-15(17)3/h5-6,9-11,13,18-19H,4,7-8,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine?
1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 287.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 115856849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).