N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine

C16H23Cl2N — CID 82936979

IUPACN-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1ccc(Cl)cc1Cl)C1CCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-9-19-11-15(12-5-3-4-6-12)14-8-7-13(17)10-16(14)18/h7-8,10,12,15,19H,2-6,9,11H2,1H3
InChIKeyMAHJHELPCJVSPN-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.27
Rot. Bonds6

About N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine

N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 82936979) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
PubChem CID82936979
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1ccc(Cl)cc1Cl)C1CCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-9-19-11-15(12-5-3-4-6-12)14-8-7-13(17)10-16(14)18/h7-8,10,12,15,19H,2-6,9,11H2,1H3
InChIKeyMAHJHELPCJVSPN-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894
N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine
CID 82923870
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2-(2,4-dichlorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107886981
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 104819492
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
CID 66436500
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine (CID 82936979) is N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine is CCCNCC(c1ccc(Cl)cc1Cl)C1CCCC1.
What is the InChIKey of N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is MAHJHELPCJVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-9-19-11-15(12-5-3-4-6-12)14-8-7-13(17)10-16(14)18/h7-8,10,12,15,19H,2-6,9,11H2,1H3.
What are the key properties of N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 82936979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).