(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C17H26ClNO — CID 20714563

IUPAC(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESC=CC[C@@H]1c2cccc(OC)c2CC[C@@H]1NCCC.Cl
InChIInChI=1S/C17H25NO.ClH/c1-4-7-14-13-8-6-9-17(19-3)15(13)10-11-16(14)18-12-5-2;/h4,6,8-9,14,16,18H,1,5,7,10-12H2,2-3H3;1H/t14-,16+;/m1./s1
InChIKeyBCEXAAUGLLWRKP-XMZRARIVSA-N
MW295.85 g/mol
LogP4.09
Rot. Bonds6

About (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 20714563) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID20714563
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESC=CC[C@@H]1c2cccc(OC)c2CC[C@@H]1NCCC.Cl
InChIInChI=1S/C17H25NO.ClH/c1-4-7-14-13-8-6-9-17(19-3)15(13)10-11-16(14)18-12-5-2;/h4,6,8-9,14,16,18H,1,5,7,10-12H2,2-3H3;1H/t14-,16+;/m1./s1
InChIKeyBCEXAAUGLLWRKP-XMZRARIVSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
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 (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 20714563) is (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is C=CC[C@@H]1c2cccc(OC)c2CC[C@@H]1NCCC.Cl.
What is the InChIKey of (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is BCEXAAUGLLWRKP-XMZRARIVSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-4-7-14-13-8-6-9-17(19-3)15(13)10-11-16(14)18-12-5-2;/h4,6,8-9,14,16,18H,1,5,7,10-12H2,2-3H3;1H/t14-,16+;/m1./s1.
What are the key properties of (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 20714563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).