3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine

C15H24ClNO2 — CID 79496291

IUPAC3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(OCC)OCC
InChIInChI=1S/C15H24ClNO2/c1-4-17-14(15(18-5-2)19-6-3)11-12-7-9-13(16)10-8-12/h7-10,14-15,17H,4-6,11H2,1-3H3
InChIKeyRCWSWUKJVKLOPR-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.26
Rot. Bonds9

About 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine

3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine (PubChem CID 79496291) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
PubChem CID79496291
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(OCC)OCC
InChIInChI=1S/C15H24ClNO2/c1-4-17-14(15(18-5-2)19-6-3)11-12-7-9-13(16)10-8-12/h7-10,14-15,17H,4-6,11H2,1-3H3
InChIKeyRCWSWUKJVKLOPR-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64535614
3-(3-chloro-4-fluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 103040261
1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine (CID 79496291) is 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)cc1)C(OCC)OCC.
What is the InChIKey of 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
The InChIKey is RCWSWUKJVKLOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-17-14(15(18-5-2)19-6-3)11-12-7-9-13(16)10-8-12/h7-10,14-15,17H,4-6,11H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine?
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 79496291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).