1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H32ClNO — CID 67822611

IUPAC1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN(CCC)C1CCc2c(OC)cccc2C1CC.Cl
InChIInChI=1S/C19H31NO.ClH/c1-5-13-20(14-6-2)18-12-11-17-16(15(18)7-3)9-8-10-19(17)21-4;/h8-10,15,18H,5-7,11-14H2,1-4H3;1H
InChIKeyBQFMNVYFFMTRQJ-UHFFFAOYSA-N
MW325.92 g/mol
LogP5.05
Rot. Bonds7

About 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 67822611) has the molecular formula C19H32ClNO and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID67822611
Molecular FormulaC19H32ClNO
Molecular Weight325.92 g/mol
Exact Mass325.22
IUPAC Name1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCCN(CCC)C1CCc2c(OC)cccc2C1CC.Cl
InChIInChI=1S/C19H31NO.ClH/c1-5-13-20(14-6-2)18-12-11-17-16(15(18)7-3)9-8-10-19(17)21-4;/h8-10,15,18H,5-7,11-14H2,1-4H3;1H
InChIKeyBQFMNVYFFMTRQJ-UHFFFAOYSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.92
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 67822611) is 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCCN(CCC)C1CCc2c(OC)cccc2C1CC.Cl.
What is the InChIKey of 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is BQFMNVYFFMTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.ClH/c1-5-13-20(14-6-2)18-12-11-17-16(15(18)7-3)9-8-10-19(17)21-4;/h8-10,15,18H,5-7,11-14H2,1-4H3;1H.
What are the key properties of 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 325.92 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 67822611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).