2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C16H23Cl2NO — CID 83159631

IUPAC2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-16(12-6-7-12,11-19-8-9-20-2)10-13-14(17)4-3-5-15(13)18/h3-5,12,19H,6-11H2,1-2H3
InChIKeyAMSRHTVHCNRMOL-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.19
Rot. Bonds8

About 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 83159631) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID83159631
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-16(12-6-7-12,11-19-8-9-20-2)10-13-14(17)4-3-5-15(13)18/h3-5,12,19H,6-11H2,1-2H3
InChIKeyAMSRHTVHCNRMOL-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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Related Compounds

2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83160271
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159985
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 83159631) is 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)(Cc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is AMSRHTVHCNRMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-16(12-6-7-12,11-19-8-9-20-2)10-13-14(17)4-3-5-15(13)18/h3-5,12,19H,6-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
2-cyclopropyl-3-(2,6-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-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83159631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).