3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol

C24H33NO2 — CID 146262342

IUPAC3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol
SMILESCc1cccc(OC2CCCC(C(C)CN(C)Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C24H33NO2/c1-18-7-4-11-23(13-18)27-24-12-6-9-21(15-24)19(2)16-25(3)17-20-8-5-10-22(26)14-20/h4-5,7-8,10-11,13-14,19,21,24,26H,6,9,12,15-17H2,1-3H3
InChIKeyIGIASUPQTQYMLH-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.41
Rot. Bonds7

About 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol

3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol (PubChem CID 146262342) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol
PubChem CID146262342
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol
SMILESCc1cccc(OC2CCCC(C(C)CN(C)Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C24H33NO2/c1-18-7-4-11-23(13-18)27-24-12-6-9-21(15-24)19(2)16-25(3)17-20-8-5-10-22(26)14-20/h4-5,7-8,10-11,13-14,19,21,24,26H,6,9,12,15-17H2,1-3H3
InChIKeyIGIASUPQTQYMLH-UHFFFAOYSA-N
XLogP5.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol?
The IUPAC name of 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol (CID 146262342) is 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol?
The canonical SMILES for 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol is Cc1cccc(OC2CCCC(C(C)CN(C)Cc3cccc(O)c3)C2)c1.
What is the InChIKey of 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol?
The InChIKey is IGIASUPQTQYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-18-7-4-11-23(13-18)27-24-12-6-9-21(15-24)19(2)16-25(3)17-20-8-5-10-22(26)14-20/h4-5,7-8,10-11,13-14,19,21,24,26H,6,9,12,15-17H2,1-3H3.
What are the key properties of 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol?
3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol has a molecular weight of 367.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-[3-(3-methylphenoxy)cyclohexyl]propyl]amino]methyl]phenol is sourced from PubChem (CID 146262342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).