3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine

C16H24ClNO — CID 116723713

IUPAC3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(OCC)C1CC1
InChIInChI=1S/C16H24ClNO/c1-3-18-15(16(19-4-2)13-7-8-13)11-12-5-9-14(17)10-6-12/h5-6,9-10,13,15-16,18H,3-4,7-8,11H2,1-2H3
InChIKeyMDCWLRSSSBNWFT-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds8

About 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine

3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine (PubChem CID 116723713) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
PubChem CID116723713
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(OCC)C1CC1
InChIInChI=1S/C16H24ClNO/c1-3-18-15(16(19-4-2)13-7-8-13)11-12-5-9-14(17)10-6-12/h5-6,9-10,13,15-16,18H,3-4,7-8,11H2,1-2H3
InChIKeyMDCWLRSSSBNWFT-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
[3-(4-chlorophenyl)-1-cyclohexyl-1-ethoxypropan-2-yl]hydrazine
CID 105278948
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
[1-cyclopropyl-1-ethoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105272958
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine (CID 116723713) is 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)cc1)C(OCC)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The InChIKey is MDCWLRSSSBNWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-15(16(19-4-2)13-7-8-13)11-12-5-9-14(17)10-6-12/h5-6,9-10,13,15-16,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 116723713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).