N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine

C25H34ClNO — CID 134292492

IUPACN-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine
SMILESCC1CCC(Oc2ccc3ccc(CNC4CC(C)C4(C)C)cc3c2Cl)CC1
InChIInChI=1S/C25H34ClNO/c1-16-5-10-20(11-6-16)28-22-12-9-19-8-7-18(14-21(19)24(22)26)15-27-23-13-17(2)25(23,3)4/h7-9,12,14,16-17,20,23,27H,5-6,10-11,13,15H2,1-4H3
InChIKeyKOLBEAUHENWVIN-UHFFFAOYSA-N
MW400.01 g/mol
LogP6.97
Rot. Bonds5

About N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine

N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine (PubChem CID 134292492) has the molecular formula C25H34ClNO and a molecular weight of 400.01 g/mol. Its IUPAC name is N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine
PubChem CID134292492
Molecular FormulaC25H34ClNO
Molecular Weight400.01 g/mol
Exact Mass399.23
IUPAC NameN-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine
SMILESCC1CCC(Oc2ccc3ccc(CNC4CC(C)C4(C)C)cc3c2Cl)CC1
InChIInChI=1S/C25H34ClNO/c1-16-5-10-20(11-6-16)28-22-12-9-19-8-7-18(14-21(19)24(22)26)15-27-23-13-17(2)25(23,3)4/h7-9,12,14,16-17,20,23,27H,5-6,10-11,13,15H2,1-4H3
InChIKeyKOLBEAUHENWVIN-UHFFFAOYSA-N
XLogP6.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.01
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine?
The IUPAC name of N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine (CID 134292492) is N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine.
What is the SMILES notation for N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine?
The canonical SMILES for N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine is CC1CCC(Oc2ccc3ccc(CNC4CC(C)C4(C)C)cc3c2Cl)CC1.
What is the InChIKey of N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine?
The InChIKey is KOLBEAUHENWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClNO/c1-16-5-10-20(11-6-16)28-22-12-9-19-8-7-18(14-21(19)24(22)26)15-27-23-13-17(2)25(23,3)4/h7-9,12,14,16-17,20,23,27H,5-6,10-11,13,15H2,1-4H3.
What are the key properties of N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine?
N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine has a molecular weight of 400.01 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-chloro-7-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]-2,2,3-trimethylcyclobutan-1-amine is sourced from PubChem (CID 134292492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).