1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine

C17H23NS — CID 105144372

IUPAC1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCCc1ccc(C(N)CCCc2cccs2)cc1
InChIInChI=1S/C17H23NS/c1-2-5-14-9-11-15(12-10-14)17(18)8-3-6-16-7-4-13-19-16/h4,7,9-13,17H,2-3,5-6,8,18H2,1H3
InChIKeyHCLKFZFKBGQIJK-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.72
Rot. Bonds7

About 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine

1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105144372) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105144372
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCCc1ccc(C(N)CCCc2cccs2)cc1
InChIInChI=1S/C17H23NS/c1-2-5-14-9-11-15(12-10-14)17(18)8-3-6-16-7-4-13-19-16/h4,7,9-13,17H,2-3,5-6,8,18H2,1H3
InChIKeyHCLKFZFKBGQIJK-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105187931
1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
2-butylthiophene;methanamine
CID 143080300
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
7-thiophen-2-ylheptan-3-amine
CID 64505571
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351
ethane;2-pentylthiophene
CID 143883800
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine (CID 105144372) is 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine is CCCc1ccc(C(N)CCCc2cccs2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is HCLKFZFKBGQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-5-14-9-11-15(12-10-14)17(18)8-3-6-16-7-4-13-19-16/h4,7,9-13,17H,2-3,5-6,8,18H2,1H3.
What are the key properties of 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105144372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).