(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride

C19H22ClNS — CID 44569437

IUPAC(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
SMILESCNCCC[C@H](c1cccs1)c1cccc2ccccc12.Cl
InChIInChI=1S/C19H21NS.ClH/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17;/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3;1H/t18-;/m0./s1
InChIKeyRWMJVKUVPIHLMV-FERBBOLQSA-N
MW331.91 g/mol
LogP5.45
Rot. Bonds6

About (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride

(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride (PubChem CID 44569437) has the molecular formula C19H22ClNS and a molecular weight of 331.91 g/mol. Its IUPAC name is (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
PubChem CID44569437
Molecular FormulaC19H22ClNS
Molecular Weight331.91 g/mol
Exact Mass331.12
IUPAC Name(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
SMILESCNCCC[C@H](c1cccs1)c1cccc2ccccc12.Cl
InChIInChI=1S/C19H21NS.ClH/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17;/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3;1H/t18-;/m0./s1
InChIKeyRWMJVKUVPIHLMV-FERBBOLQSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.91
LogP ≤ 55.45
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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Frequently Asked Questions

What is the IUPAC name of (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride?
The IUPAC name of (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride (CID 44569437) is (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride?
The canonical SMILES for (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride is CNCCC[C@H](c1cccs1)c1cccc2ccccc12.Cl.
What is the InChIKey of (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride?
The InChIKey is RWMJVKUVPIHLMV-FERBBOLQSA-N. The full InChI is InChI=1S/C19H21NS.ClH/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17;/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3;1H/t18-;/m0./s1.
What are the key properties of (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride?
(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride has a molecular weight of 331.91 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 44569437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).