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

C15H21Cl2NO — CID 116723444

IUPAC1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C15H21Cl2NO/c1-3-19-15(10-4-5-10)14(18-2)9-11-8-12(16)6-7-13(11)17/h6-8,10,14-15,18H,3-5,9H2,1-2H3
InChIKeyQFERRENOGWCADU-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.94
Rot. Bonds7

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

1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine (PubChem CID 116723444) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
PubChem CID116723444
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C15H21Cl2NO/c1-3-19-15(10-4-5-10)14(18-2)9-11-8-12(16)6-7-13(11)17/h6-8,10,14-15,18H,3-5,9H2,1-2H3
InChIKeyQFERRENOGWCADU-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
1-cyclopropyl-1-ethoxy-N-methyl-3-quinolin-4-ylpropan-2-amine
CID 116723331
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723414
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine (CID 116723444) is 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine is CCOC(C1CC1)C(Cc1cc(Cl)ccc1Cl)NC.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine?
The InChIKey is QFERRENOGWCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-19-15(10-4-5-10)14(18-2)9-11-8-12(16)6-7-13(11)17/h6-8,10,14-15,18H,3-5,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine?
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine has a molecular weight of 302.24 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116723444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).