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

C19H27NS — CID 115860977

IUPAC1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)Cc1cc(C)ccc1C
InChIInChI=1S/C19H27NS/c1-4-11-20-18(9-10-19-6-5-12-21-19)14-17-13-15(2)7-8-16(17)3/h5-8,12-13,18,20H,4,9-11,14H2,1-3H3
InChIKeyOVWMFEBONKEASS-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.91
Rot. Bonds8

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

1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 115860977) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
PubChem CID115860977
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)Cc1cc(C)ccc1C
InChIInChI=1S/C19H27NS/c1-4-11-20-18(9-10-19-6-5-12-21-19)14-17-13-15(2)7-8-16(17)3/h5-8,12-13,18,20H,4,9-11,14H2,1-3H3
InChIKeyOVWMFEBONKEASS-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
CID 63544769
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
1-(2,5-dimethylphenyl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 115820693
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
CID 115845513

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine (CID 115860977) is 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine is CCCNC(CCc1cccs1)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is OVWMFEBONKEASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-11-20-18(9-10-19-6-5-12-21-19)14-17-13-15(2)7-8-16(17)3/h5-8,12-13,18,20H,4,9-11,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 301.50 g/mol, XLogP of 4.91, 8 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-propyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115860977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).