7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine

C22H25NO — CID 166439129

IUPAC7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine
SMILESCOc1ccc(CCCc2ccc3cccc(N(C)C)c3c2)cc1
InChIInChI=1S/C22H25NO/c1-23(2)22-9-5-8-19-13-10-18(16-21(19)22)7-4-6-17-11-14-20(24-3)15-12-17/h5,8-16H,4,6-7H2,1-3H3
InChIKeyPAAJFGLUDPXGAH-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.09
Rot. Bonds6

About 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine

7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine (PubChem CID 166439129) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine
PubChem CID166439129
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine
SMILESCOc1ccc(CCCc2ccc3cccc(N(C)C)c3c2)cc1
InChIInChI=1S/C22H25NO/c1-23(2)22-9-5-8-19-13-10-18(16-21(19)22)7-4-6-17-11-14-20(24-3)15-12-17/h5,8-16H,4,6-7H2,1-3H3
InChIKeyPAAJFGLUDPXGAH-UHFFFAOYSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine (CID 166439129) is 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine is COc1ccc(CCCc2ccc3cccc(N(C)C)c3c2)cc1.
What is the InChIKey of 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine?
The InChIKey is PAAJFGLUDPXGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-23(2)22-9-5-8-19-13-10-18(16-21(19)22)7-4-6-17-11-14-20(24-3)15-12-17/h5,8-16H,4,6-7H2,1-3H3.
What are the key properties of 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine?
7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine has a molecular weight of 319.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 166439129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).