(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride

C18H20ClNS — CID 44569433

IUPAC(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC[C@H](c1cccs1)c1cccc2ccccc12.Cl
InChIInChI=1S/C18H19NS.ClH/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1
InChIKeyZAQWLTCPVRBBIN-LMOVPXPDSA-N
MW317.89 g/mol
LogP5.06
Rot. Bonds5

About (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride

(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 44569433) has the molecular formula C18H20ClNS and a molecular weight of 317.89 g/mol. Its IUPAC name is (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID44569433
Molecular FormulaC18H20ClNS
Molecular Weight317.89 g/mol
Exact Mass317.10
IUPAC Name(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC[C@H](c1cccs1)c1cccc2ccccc12.Cl
InChIInChI=1S/C18H19NS.ClH/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1
InChIKeyZAQWLTCPVRBBIN-LMOVPXPDSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride (CID 44569433) is (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride is CNCC[C@H](c1cccs1)c1cccc2ccccc12.Cl.
What is the InChIKey of (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is ZAQWLTCPVRBBIN-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H19NS.ClH/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1.
What are the key properties of (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 317.89 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 44569433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).