2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol

C16H23Cl2NO — CID 64929831

IUPAC2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCCC1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-15(13-8-7-12(17)9-14(13)18)19-10-11-5-3-4-6-16(11)20/h7-9,11,15-16,19-20H,2-6,10H2,1H3
InChIKeyCFNYIMDHRJVRGL-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.59
Rot. Bonds5

About 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol

2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 64929831) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID64929831
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCCC1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-15(13-8-7-12(17)9-14(13)18)19-10-11-5-3-4-6-16(11)20/h7-9,11,15-16,19-20H,2-6,10H2,1H3
InChIKeyCFNYIMDHRJVRGL-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol (CID 64929831) is 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCCCC1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is CFNYIMDHRJVRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-15(13-8-7-12(17)9-14(13)18)19-10-11-5-3-4-6-16(11)20/h7-9,11,15-16,19-20H,2-6,10H2,1H3.
What are the key properties of 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).