N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

C30H32N2O — CID 25192633

IUPACN-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1ccccc1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
InChIKeyMMXMFMPXNVWWPU-UHFFFAOYSA-N
MW436.60 g/mol
LogP7.38
Rot. Bonds6

About N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192633) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192633
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC NameN-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1ccccc1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
InChIKeyMMXMFMPXNVWWPU-UHFFFAOYSA-N
XLogP7.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192633) is N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1ccccc1-c1cc(OC)c2c(n1)CCCC2N(CC)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is MMXMFMPXNVWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 436.60 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylphenyl)-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).