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

C36H42N2O — CID 25191763

IUPAC4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC2CCCC2)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C36H42N2O/c1-4-25-15-11-16-26(5-2)35(25)31-24-34(39-28-18-8-9-19-28)36-30(37-31)21-13-23-33(36)38(6-3)32-22-12-17-27-14-7-10-20-29(27)32/h7,10-12,14-17,20,22,24,28,33H,4-6,8-9,13,18-19,21,23H2,1-3H3
InChIKeyQHYHFHIRCVCJMQ-UHFFFAOYSA-N
MW518.75 g/mol
LogP9.25
Rot. Bonds8

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

4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25191763) has the molecular formula C36H42N2O and a molecular weight of 518.75 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25191763
Molecular FormulaC36H42N2O
Molecular Weight518.75 g/mol
Exact Mass518.33
IUPAC Name4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC2CCCC2)c2c(n1)CCCC2N(CC)c1cccc2ccccc12
InChIInChI=1S/C36H42N2O/c1-4-25-15-11-16-26(5-2)35(25)31-24-34(39-28-18-8-9-19-28)36-30(37-31)21-13-23-33(36)38(6-3)32-22-12-17-27-14-7-10-20-29(27)32/h7,10-12,14-17,20,22,24,28,33H,4-6,8-9,13,18-19,21,23H2,1-3H3
InChIKeyQHYHFHIRCVCJMQ-UHFFFAOYSA-N
XLogP9.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine with MolForge

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Related Compounds

2-(2,6-dimethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
CID 25191901
2-[[2-(2,6-dimethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-naphthalen-1-ylamino]acetonitrile
CID 25192768
[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-5-fluorophenyl]methanol
CID 25191764
4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline
CID 68849768
4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine
CID 66993966
(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine
CID 66994887
2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine
CID 60725614
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 67291088
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
CID 141152735
6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine
CID 59678153

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25191763) is 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC2CCCC2)c2c(n1)CCCC2N(CC)c1cccc2ccccc12.
What is the InChIKey of 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is QHYHFHIRCVCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N2O/c1-4-25-15-11-16-26(5-2)35(25)31-24-34(39-28-18-8-9-19-28)36-30(37-31)21-13-23-33(36)38(6-3)32-22-12-17-27-14-7-10-20-29(27)32/h7,10-12,14-17,20,22,24,28,33H,4-6,8-9,13,18-19,21,23H2,1-3H3.
What are the key properties of 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 518.75 g/mol, XLogP of 9.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-(2,6-diethylphenyl)-N-ethyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25191763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).