2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine

C18H25NS — CID 63507962

IUPAC2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCCNCC(CC)(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C18H25NS/c1-3-11-19-15-18(4-2,13-16-10-12-20-14-16)17-8-6-5-7-9-17/h5-10,12,14,19H,3-4,11,13,15H2,1-2H3
InChIKeyIOECCMLUJKSCAH-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.64
Rot. Bonds8

About 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine

2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 63507962) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID63507962
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCCNCC(CC)(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C18H25NS/c1-3-11-19-15-18(4-2,13-16-10-12-20-14-16)17-8-6-5-7-9-17/h5-10,12,14,19H,3-4,11,13,15H2,1-2H3
InChIKeyIOECCMLUJKSCAH-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706027
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine (CID 63507962) is 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine is CCCNCC(CC)(Cc1ccsc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is IOECCMLUJKSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-11-19-15-18(4-2,13-16-10-12-20-14-16)17-8-6-5-7-9-17/h5-10,12,14,19H,3-4,11,13,15H2,1-2H3.
What are the key properties of 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine?
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 63507962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).