N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine

C21H28N2O — CID 134259557

IUPACN-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine
SMILESCc1cccc(O[C@@H]2CCCC(C(C)CNc3ccncc3)C2)c1
InChIInChI=1S/C21H28N2O/c1-16-5-3-7-20(13-16)24-21-8-4-6-18(14-21)17(2)15-23-19-9-11-22-12-10-19/h3,5,7,9-13,17-18,21H,4,6,8,14-15H2,1-2H3,(H,22,23)/t17?,18?,21-/m1/s1
InChIKeyALQYISAGADYTFC-WIXQSORDSA-N
MW324.47 g/mol
LogP5.08
Rot. Bonds6

About N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine

N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine (PubChem CID 134259557) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine
PubChem CID134259557
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine
SMILESCc1cccc(O[C@@H]2CCCC(C(C)CNc3ccncc3)C2)c1
InChIInChI=1S/C21H28N2O/c1-16-5-3-7-20(13-16)24-21-8-4-6-18(14-21)17(2)15-23-19-9-11-22-12-10-19/h3,5,7,9-13,17-18,21H,4,6,8,14-15H2,1-2H3,(H,22,23)/t17?,18?,21-/m1/s1
InChIKeyALQYISAGADYTFC-WIXQSORDSA-N
XLogP5.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine
CID 134248703
2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 134248673
2-[[2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
CID 134248685
2-[[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propylamino]methyl]phenol
CID 134259560
N-[(4-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248722
4-ethylpyridine;methane;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propanal;2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-4-ylmethyl)propan-1-amine;tetrakis(propan-2-ol);titanium
CID 158541404
N-[(2-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248694
N-[(3-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248679
N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248693
N-(3H-benzimidazol-5-ylmethyl)-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248687
N-benzyl-N-methyl-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134259562
(3-methylphenoxy)cyclononane
CID 145391482

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine?
The IUPAC name of N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine (CID 134259557) is N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine.
What is the SMILES notation for N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine?
The canonical SMILES for N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine is Cc1cccc(O[C@@H]2CCCC(C(C)CNc3ccncc3)C2)c1.
What is the InChIKey of N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine?
The InChIKey is ALQYISAGADYTFC-WIXQSORDSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16-5-3-7-20(13-16)24-21-8-4-6-18(14-21)17(2)15-23-19-9-11-22-12-10-19/h3,5,7,9-13,17-18,21H,4,6,8,14-15H2,1-2H3,(H,22,23)/t17?,18?,21-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine?
N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(3-methylphenoxy)cyclohexyl]propyl]pyridin-4-amine is sourced from PubChem (CID 134259557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).