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

C20H31NO — CID 57286470

IUPAC(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC[C@@H]1c2c(cccc2OC)CC[C@@H]1N(CCC)CCC
InChIInChI=1S/C20H31NO/c1-5-9-17-18(21(14-6-2)15-7-3)13-12-16-10-8-11-19(22-4)20(16)17/h5,8,10-11,17-18H,1,6-7,9,12-15H2,2-4H3/t17-,18-/m0/s1
InChIKeyUHNVTKKSOVHIOE-ROUUACIJSA-N
MW301.47 g/mol
LogP4.79
Rot. Bonds8

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

(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 57286470) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID57286470
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC[C@@H]1c2c(cccc2OC)CC[C@@H]1N(CCC)CCC
InChIInChI=1S/C20H31NO/c1-5-9-17-18(21(14-6-2)15-7-3)13-12-16-10-8-11-19(22-4)20(16)17/h5,8,10-11,17-18H,1,6-7,9,12-15H2,2-4H3/t17-,18-/m0/s1
InChIKeyUHNVTKKSOVHIOE-ROUUACIJSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
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)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 57286470) is (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is C=CC[C@@H]1c2c(cccc2OC)CC[C@@H]1N(CCC)CCC.
What is the InChIKey of (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UHNVTKKSOVHIOE-ROUUACIJSA-N. The full InChI is InChI=1S/C20H31NO/c1-5-9-17-18(21(14-6-2)15-7-3)13-12-16-10-8-11-19(22-4)20(16)17/h5,8,10-11,17-18H,1,6-7,9,12-15H2,2-4H3/t17-,18-/m0/s1.
What are the key properties of (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 301.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 57286470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).