N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C19H29NO — CID 79232396

IUPACN-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC1CCC(C)CC1C)CCC2
InChIInChI=1S/C19H29NO/c1-13-7-10-18(14(2)11-13)20-19-6-4-5-15-8-9-16(21-3)12-17(15)19/h8-9,12-14,18-20H,4-7,10-11H2,1-3H3
InChIKeyODNDLJURCXEDBH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.49
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79232396) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79232396
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC1CCC(C)CC1C)CCC2
InChIInChI=1S/C19H29NO/c1-13-7-10-18(14(2)11-13)20-19-6-4-5-15-8-9-16(21-3)12-17(15)19/h8-9,12-14,18-20H,4-7,10-11H2,1-3H3
InChIKeyODNDLJURCXEDBH-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79232396) is N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NC1CCC(C)CC1C)CCC2.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ODNDLJURCXEDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-7-10-18(14(2)11-13)20-19-6-4-5-15-8-9-16(21-3)12-17(15)19/h8-9,12-14,18-20H,4-7,10-11H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79232396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).