3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride

C21H26Cl2N2O — CID 57471464

IUPAC3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride
SMILESCNC1CCc2ccc(CCC(N)=O)cc2C1Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C21H25ClN2O.ClH/c1-24-20-9-8-16-7-5-14(6-10-21(23)25)12-18(16)19(20)13-15-3-2-4-17(22)11-15;/h2-5,7,11-12,19-20,24H,6,8-10,13H2,1H3,(H2,23,25);1H
InChIKeyRKQSAVJLQHLCLG-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.04
Rot. Bonds6

About 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride

3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride (PubChem CID 57471464) has the molecular formula C21H26Cl2N2O and a molecular weight of 393.36 g/mol. Its IUPAC name is 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride
PubChem CID57471464
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.36 g/mol
Exact Mass392.14
IUPAC Name3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride
SMILESCNC1CCc2ccc(CCC(N)=O)cc2C1Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C21H25ClN2O.ClH/c1-24-20-9-8-16-7-5-14(6-10-21(23)25)12-18(16)19(20)13-15-3-2-4-17(22)11-15;/h2-5,7,11-12,19-20,24H,6,8-10,13H2,1H3,(H2,23,25);1H
InChIKeyRKQSAVJLQHLCLG-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride?
The IUPAC name of 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride (CID 57471464) is 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride?
The canonical SMILES for 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride is CNC1CCc2ccc(CCC(N)=O)cc2C1Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride?
The InChIKey is RKQSAVJLQHLCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O.ClH/c1-24-20-9-8-16-7-5-14(6-10-21(23)25)12-18(16)19(20)13-15-3-2-4-17(22)11-15;/h2-5,7,11-12,19-20,24H,6,8-10,13H2,1H3,(H2,23,25);1H.
What are the key properties of 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride?
3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride has a molecular weight of 393.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 57471464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).