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

C16H23Cl2NO — CID 116723664

IUPAC1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C(OCC)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19-15(16(20-4-2)12-6-7-12)10-11-5-8-13(17)14(18)9-11/h5,8-9,12,15-16,19H,3-4,6-7,10H2,1-2H3
InChIKeyRRKJRKVVLBFUMO-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.33
Rot. Bonds8

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

1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine (PubChem CID 116723664) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
PubChem CID116723664
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C(OCC)C1CC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19-15(16(20-4-2)12-6-7-12)10-11-5-8-13(17)14(18)9-11/h5,8-9,12,15-16,19H,3-4,6-7,10H2,1-2H3
InChIKeyRRKJRKVVLBFUMO-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
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
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
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine (CID 116723664) is 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)c(Cl)c1)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
The InChIKey is RRKJRKVVLBFUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-3-19-15(16(20-4-2)12-6-7-12)10-11-5-8-13(17)14(18)9-11/h5,8-9,12,15-16,19H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine?
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine has a molecular weight of 316.27 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 116723664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).