(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C17H26ClNO — CID 67749546

IUPAC(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@@H]1CC2=C(C[C@@H]1CC=C)C=CC=C2OC.Cl
InChIInChI=1S/C17H25NO.ClH/c1-4-7-14-11-13-8-6-9-17(19-3)15(13)12-16(14)18-10-5-2;/h4,6,8-9,14,16,18H,1,5,7,10-12H2,2-3H3;1H/t14-,16+;/m0./s1
InChIKeyPQADNFVRNKBQCP-KUARMEPBSA-N
MW295.80 g/mol
LogP—
Rot. Bonds6

About (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 67749546) has the molecular formula C17H26ClNO and a molecular weight of 295.80 g/mol. Its IUPAC name is (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID67749546
Molecular FormulaC17H26ClNO
Molecular Weight295.80 g/mol
Exact Mass295.17
IUPAC Name(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN[C@@H]1CC2=C(C[C@@H]1CC=C)C=CC=C2OC.Cl
InChIInChI=1S/C17H25NO.ClH/c1-4-7-14-11-13-8-6-9-17(19-3)15(13)12-16(14)18-10-5-2;/h4,6,8-9,14,16,18H,1,5,7,10-12H2,2-3H3;1H/t14-,16+;/m0./s1
InChIKeyPQADNFVRNKBQCP-KUARMEPBSA-N
XLogP—
TPSA21.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity278

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 67749546) is (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN[C@@H]1CC2=C(C[C@@H]1CC=C)C=CC=C2OC.Cl.
What is the InChIKey of (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is PQADNFVRNKBQCP-KUARMEPBSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-4-7-14-11-13-8-6-9-17(19-3)15(13)12-16(14)18-10-5-2;/h4,6,8-9,14,16,18H,1,5,7,10-12H2,2-3H3;1H/t14-,16+;/m0./s1.
What are the key properties of (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 295.80 g/mol, XLogP of not available, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 67749546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).