1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol

C16H23Cl2NO — CID 65106925

IUPAC1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-2-15(12-6-7-13(17)14(18)10-12)19-11-16(20)8-4-3-5-9-16/h6-7,10,15,19-20H,2-5,8-9,11H2,1H3
InChIKeyBCWGPDIMSURWRU-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.73
Rot. Bonds5

About 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol

1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 65106925) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID65106925
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-2-15(12-6-7-13(17)14(18)10-12)19-11-16(20)8-4-3-5-9-16/h6-7,10,15,19-20H,2-5,8-9,11H2,1H3
InChIKeyBCWGPDIMSURWRU-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(3-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 114871638
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
1-[[1-(3-chlorophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115735
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol (CID 65106925) is 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is BCWGPDIMSURWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-15(12-6-7-13(17)14(18)10-12)19-11-16(20)8-4-3-5-9-16/h6-7,10,15,19-20H,2-5,8-9,11H2,1H3.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol?
1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65106925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).