2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C17H23NOS — CID 62584061

IUPAC2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)OCCCc1ccccc1
InChIInChI=1S/C17H23NOS/c1-15(13-18-14-17-10-6-12-20-17)19-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12,15,18H,5,9,11,13-14H2,1H3
InChIKeyBUDLFRWKKJCXPR-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.88
Rot. Bonds9

About 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62584061) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62584061
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)OCCCc1ccccc1
InChIInChI=1S/C17H23NOS/c1-15(13-18-14-17-10-6-12-20-17)19-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12,15,18H,5,9,11,13-14H2,1H3
InChIKeyBUDLFRWKKJCXPR-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
N-(thiophen-2-ylmethyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793135
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63937189
2-methoxy-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 55038163
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62583502
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62584061) is 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)OCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is BUDLFRWKKJCXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-15(13-18-14-17-10-6-12-20-17)19-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12,15,18H,5,9,11,13-14H2,1H3.
What are the key properties of 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62584061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).