3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine

C20H26N2O — CID 162467987

IUPAC3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine
SMILESCOc1ccc(C2CCC(Cc3cccnc3N)CC2)cc1C
InChIInChI=1S/C20H26N2O/c1-14-12-17(9-10-19(14)23-2)16-7-5-15(6-8-16)13-18-4-3-11-22-20(18)21/h3-4,9-12,15-16H,5-8,13H2,1-2H3,(H2,21,22)
InChIKeyTWTWFZDJFQPYNQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.50
Rot. Bonds4

About 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine

3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine (PubChem CID 162467987) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine
PubChem CID162467987
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine
SMILESCOc1ccc(C2CCC(Cc3cccnc3N)CC2)cc1C
InChIInChI=1S/C20H26N2O/c1-14-12-17(9-10-19(14)23-2)16-7-5-15(6-8-16)13-18-4-3-11-22-20(18)21/h3-4,9-12,15-16H,5-8,13H2,1-2H3,(H2,21,22)
InChIKeyTWTWFZDJFQPYNQ-UHFFFAOYSA-N
XLogP4.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine (CID 162467987) is 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine is COc1ccc(C2CCC(Cc3cccnc3N)CC2)cc1C.
What is the InChIKey of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine?
The InChIKey is TWTWFZDJFQPYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-12-17(9-10-19(14)23-2)16-7-5-15(6-8-16)13-18-4-3-11-22-20(18)21/h3-4,9-12,15-16H,5-8,13H2,1-2H3,(H2,21,22).
What are the key properties of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine?
3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine has a molecular weight of 310.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine is sourced from PubChem (CID 162467987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).