1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine

C17H23NS — CID 105187931

IUPAC1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCCc1cccc(C(N)CCCc2cccs2)c1
InChIInChI=1S/C17H23NS/c1-2-6-14-7-3-8-15(13-14)17(18)11-4-9-16-10-5-12-19-16/h3,5,7-8,10,12-13,17H,2,4,6,9,11,18H2,1H3
InChIKeyOPFVIDPJVSVBGJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.72
Rot. Bonds7

About 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine

1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105187931) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105187931
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCCc1cccc(C(N)CCCc2cccs2)c1
InChIInChI=1S/C17H23NS/c1-2-6-14-7-3-8-15(13-14)17(18)11-4-9-16-10-5-12-19-16/h3,5,7-8,10,12-13,17H,2,4,6,9,11,18H2,1H3
InChIKeyOPFVIDPJVSVBGJ-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-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145864
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451
1-(3-propylphenyl)ethanamine
CID 116543909
2-butylthiophene;methanamine
CID 143080300
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
7-thiophen-2-ylheptan-3-amine
CID 64505571

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine (CID 105187931) is 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine is CCCc1cccc(C(N)CCCc2cccs2)c1.
What is the InChIKey of 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is OPFVIDPJVSVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-6-14-7-3-8-15(13-14)17(18)11-4-9-16-10-5-12-19-16/h3,5,7-8,10,12-13,17H,2,4,6,9,11,18H2,1H3.
What are the key properties of 1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine?
1-(3-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-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105187931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).