3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine

C21H28N2O — CID 164711012

IUPAC3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(C2CCC(Cc3ccc(C)nc3N)CC2)cc1C
InChIInChI=1S/C21H28N2O/c1-14-12-18(10-11-20(14)24-3)17-8-5-16(6-9-17)13-19-7-4-15(2)23-21(19)22/h4,7,10-12,16-17H,5-6,8-9,13H2,1-3H3,(H2,22,23)
InChIKeyNSTYFRKXHSPFSS-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.81
Rot. Bonds4

About 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine

3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine (PubChem CID 164711012) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
PubChem CID164711012
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(C2CCC(Cc3ccc(C)nc3N)CC2)cc1C
InChIInChI=1S/C21H28N2O/c1-14-12-18(10-11-20(14)24-3)17-8-5-16(6-9-17)13-19-7-4-15(2)23-21(19)22/h4,7,10-12,16-17H,5-6,8-9,13H2,1-3H3,(H2,22,23)
InChIKeyNSTYFRKXHSPFSS-UHFFFAOYSA-N
XLogP4.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]pyridin-2-amine
CID 162467987
[3-(4-methoxy-3-methylphenyl)cyclopentyl]methyl carbamate
CID 143710477
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine
CID 143502114
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
CID 116926249
2-cyclopropyl-3-methoxy-6-methylpyridine
CID 126627293
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 142430471
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
4-cyclopropyl-2-methyl-1-propan-2-yloxybenzene
CID 118268967
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793
5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66295326
6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 79632340

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine (CID 164711012) is 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine is COc1ccc(C2CCC(Cc3ccc(C)nc3N)CC2)cc1C.
What is the InChIKey of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The InChIKey is NSTYFRKXHSPFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-14-12-18(10-11-20(14)24-3)17-8-5-16(6-9-17)13-19-7-4-15(2)23-21(19)22/h4,7,10-12,16-17H,5-6,8-9,13H2,1-3H3,(H2,22,23).
What are the key properties of 3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
3-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 4.81, 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]-6-methylpyridin-2-amine is sourced from PubChem (CID 164711012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).