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

C15H21Cl2NO — CID 65105429

IUPAC1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
SMILESCCC(NCC1(O)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-2-14(12-6-5-11(16)9-13(12)17)18-10-15(19)7-3-4-8-15/h5-6,9,14,18-19H,2-4,7-8,10H2,1H3
InChIKeyAGLGDFDUSYNEKI-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.34
Rot. Bonds5

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

1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol (PubChem CID 65105429) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
PubChem CID65105429
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
SMILESCCC(NCC1(O)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-2-14(12-6-5-11(16)9-13(12)17)18-10-15(19)7-3-4-8-15/h5-6,9,14,18-19H,2-4,7-8,10H2,1H3
InChIKeyAGLGDFDUSYNEKI-UHFFFAOYSA-N
XLogP4.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415724
1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 65106925
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
CID 115692774
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174
1-[[1-(3-chlorophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115735
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol (CID 65105429) is 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol is CCC(NCC1(O)CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol?
The InChIKey is AGLGDFDUSYNEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-14(12-6-5-11(16)9-13(12)17)18-10-15(19)7-3-4-8-15/h5-6,9,14,18-19H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol?
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol has a molecular weight of 302.24 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).