1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine

C14H21Cl2NO — CID 112688260

IUPAC1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-17-11(8-9-18-4-2)10-12-13(15)6-5-7-14(12)16/h5-7,11,17H,3-4,8-10H2,1-2H3
InChIKeyAQWJYFUPYZBGHZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.94
Rot. Bonds8

About 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine

1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine (PubChem CID 112688260) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
PubChem CID112688260
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-17-11(8-9-18-4-2)10-12-13(15)6-5-7-14(12)16/h5-7,11,17H,3-4,8-10H2,1-2H3
InChIKeyAQWJYFUPYZBGHZ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.94
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

1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105174695
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455278
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(2,6-dichlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214862
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 107309180
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine (CID 112688260) is 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine is CCNC(CCOCC)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
The InChIKey is AQWJYFUPYZBGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-17-11(8-9-18-4-2)10-12-13(15)6-5-7-14(12)16/h5-7,11,17H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 112688260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).