2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C16H23Cl2NO — CID 83160271

IUPAC2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-16(13-3-4-13,11-19-7-8-20-2)10-12-9-14(17)5-6-15(12)18/h5-6,9,13,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyBLXURXPNERIUPF-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.19
Rot. Bonds8

About 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 83160271) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID83160271
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-16(13-3-4-13,11-19-7-8-20-2)10-12-9-14(17)5-6-15(12)18/h5-6,9,13,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyBLXURXPNERIUPF-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.19
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 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 83160271) is 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)(Cc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is BLXURXPNERIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-16(13-3-4-13,11-19-7-8-20-2)10-12-9-14(17)5-6-15(12)18/h5-6,9,13,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 316.27 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83160271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).