3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide

C21H25ClN2O — CID 142014609

IUPAC3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide
SMILESCNC1CCC(c2ccc(Cl)c(C)c2)c2ccc(CCC(N)=O)cc21
InChIInChI=1S/C21H25ClN2O/c1-13-11-15(5-8-19(13)22)16-7-9-20(24-2)18-12-14(3-6-17(16)18)4-10-21(23)25/h3,5-6,8,11-12,16,20,24H,4,7,9-10H2,1-2H3,(H2,23,25)
InChIKeyMHMLDEZQTHEIBM-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.25
Rot. Bonds5

About 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide

3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide (PubChem CID 142014609) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide
PubChem CID142014609
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide
SMILESCNC1CCC(c2ccc(Cl)c(C)c2)c2ccc(CCC(N)=O)cc21
InChIInChI=1S/C21H25ClN2O/c1-13-11-15(5-8-19(13)22)16-7-9-20(24-2)18-12-14(3-6-17(16)18)4-10-21(23)25/h3,5-6,8,11-12,16,20,24H,4,7,9-10H2,1-2H3,(H2,23,25)
InChIKeyMHMLDEZQTHEIBM-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
The IUPAC name of 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide (CID 142014609) is 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide.
What is the SMILES notation for 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
The canonical SMILES for 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide is CNC1CCC(c2ccc(Cl)c(C)c2)c2ccc(CCC(N)=O)cc21.
What is the InChIKey of 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
The InChIKey is MHMLDEZQTHEIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-13-11-15(5-8-19(13)22)16-7-9-20(24-2)18-12-14(3-6-17(16)18)4-10-21(23)25/h3,5-6,8,11-12,16,20,24H,4,7,9-10H2,1-2H3,(H2,23,25).
What are the key properties of 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide has a molecular weight of 356.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chloro-3-methylphenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide is sourced from PubChem (CID 142014609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).