N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine

C18H25NOS — CID 63774718

IUPACN-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
SMILESCCCNC(CC)c1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C18H25NOS/c1-3-12-19-18(4-2)15-7-9-16(10-8-15)20-13-11-17-6-5-14-21-17/h5-10,14,18-19H,3-4,11-13H2,1-2H3
InChIKeyONXCYSZPDIPQCQ-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.82
Rot. Bonds9

About N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine

N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine (PubChem CID 63774718) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
PubChem CID63774718
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
SMILESCCCNC(CC)c1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C18H25NOS/c1-3-12-19-18(4-2)15-7-9-16(10-8-15)20-13-11-17-6-5-14-21-17/h5-10,14,18-19H,3-4,11-13H2,1-2H3
InChIKeyONXCYSZPDIPQCQ-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
2,2-dimethyl-4-[4-[1-(propylamino)propyl]phenoxy]butanenitrile
CID 65246755
1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
CID 54807525
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine (CID 63774718) is N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine is CCCNC(CC)c1ccc(OCCc2cccs2)cc1.
What is the InChIKey of N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine?
The InChIKey is ONXCYSZPDIPQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-3-12-19-18(4-2)15-7-9-16(10-8-15)20-13-11-17-6-5-14-21-17/h5-10,14,18-19H,3-4,11-13H2,1-2H3.
What are the key properties of N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine?
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 63774718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).