4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol

C16H23Cl2NO — CID 166350058

IUPAC4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol
SMILESCN(CCCCO)C1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-19(9-2-3-10-20)16-6-4-5-13(16)12-7-8-14(17)15(18)11-12/h7-8,11,13,16,20H,2-6,9-10H2,1H3
InChIKeyBYECFNGSTFQMFK-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.33
Rot. Bonds6

About 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol

4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol (PubChem CID 166350058) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol
PubChem CID166350058
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol
SMILESCN(CCCCO)C1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-19(9-2-3-10-20)16-6-4-5-13(16)12-7-8-14(17)15(18)11-12/h7-8,11,13,16,20H,2-6,9-10H2,1H3
InChIKeyBYECFNGSTFQMFK-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol?
The IUPAC name of 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol (CID 166350058) is 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol.
What is the SMILES notation for 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol?
The canonical SMILES for 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol is CN(CCCCO)C1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol?
The InChIKey is BYECFNGSTFQMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-19(9-2-3-10-20)16-6-4-5-13(16)12-7-8-14(17)15(18)11-12/h7-8,11,13,16,20H,2-6,9-10H2,1H3.
What are the key properties of 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol?
4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dichlorophenyl)cyclopentyl]-methylamino]butan-1-ol is sourced from PubChem (CID 166350058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).