cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C22H27N3O2 — CID 69429590

About cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 69429590) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

• Compound Name: cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
• PubChem CID: 69429590
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
• SMILES: COc1cccc(CN[C@@H]2CCC[C@H](Oc3ccc4[nH]ncc4c3C)C2)c1
• InChI: InChI=1S/C22H27N3O2/c1-15-20-14-24-25-21(20)9-10-22(15)27-19-8-4-6-17(12-19)23-13-16-5-3-7-18(11-16)26-2/h3,5,7,9-11,14,17,19,23H,4,6,8,12-13H2,1-2H3,(H,24,25)/t17-,19+/m1/s1
• InChIKey: QYVMRDRSJNVAPY-MJGOQNOKSA-N
• XLogP: 4.36
• TPSA: 59.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?

The IUPAC name of cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 69429590) is cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

What is the SMILES notation for cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?

The canonical SMILES for cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is COc1cccc(CN[C@@H]2CCC[C@H](Oc3ccc4[nH]ncc4c3C)C2)c1.

What is the InChIKey of cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?

The InChIKey is QYVMRDRSJNVAPY-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-20-14-24-25-21(20)9-10-22(15)27-19-8-4-6-17(12-19)23-13-16-5-3-7-18(11-16)26-2/h3,5,7,9-11,14,17,19,23H,4,6,8,12-13H2,1-2H3,(H,24,25)/t17-,19+/m1/s1.

What are the key properties of cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?

cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 365.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 69429590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).