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

C38H40N2O — CID 25192335

IUPAC2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OCc2ccccc2)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C38H40N2O/c1-4-28-18-12-19-29(5-2)37(28)33-25-36(41-26-27-15-8-7-9-16-27)38-32(39-33)22-14-24-35(38)40(6-3)34-23-13-20-30-17-10-11-21-31(30)34/h7-13,15-21,23,25,35H,4-6,14,22,24,26H2,1-3H3
InChIKeyFFAFHWRQQVVOGU-UHFFFAOYSA-N
MW540.75 g/mol
LogP9.51
Rot. Bonds9

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

2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192335) has the molecular formula C38H40N2O and a molecular weight of 540.75 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192335
Molecular FormulaC38H40N2O
Molecular Weight540.75 g/mol
Exact Mass540.31
IUPAC Name2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OCc2ccccc2)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C38H40N2O/c1-4-28-18-12-19-29(5-2)37(28)33-25-36(41-26-27-15-8-7-9-16-27)38-32(39-33)22-14-24-35(38)40(6-3)34-23-13-20-30-17-10-11-21-31(30)34/h7-13,15-21,23,25,35H,4-6,14,22,24,26H2,1-3H3
InChIKeyFFAFHWRQQVVOGU-UHFFFAOYSA-N
XLogP9.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192335) is 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OCc2ccccc2)c2c(n1)CCCC2N(CC)c1cccc2ccccc12.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is FFAFHWRQQVVOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O/c1-4-28-18-12-19-29(5-2)37(28)33-25-36(41-26-27-15-8-7-9-16-27)38-32(39-33)22-14-24-35(38)40(6-3)34-23-13-20-30-17-10-11-21-31(30)34/h7-13,15-21,23,25,35H,4-6,14,22,24,26H2,1-3H3.
What are the key properties of 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 540.75 g/mol, XLogP of 9.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-4-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).