1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine

C14H21Cl2NO — CID 107309069

IUPAC1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
SMILESCCCC(OCC)C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-6-13(18-4-2)12(17)9-10-7-5-8-11(15)14(10)16/h5,7-8,12-13H,3-4,6,9,17H2,1-2H3
InChIKeyJLHVOQUFVVCHNC-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.07
Rot. Bonds7

About 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine

1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine (PubChem CID 107309069) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
PubChem CID107309069
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
SMILESCCCC(OCC)C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-6-13(18-4-2)12(17)9-10-7-5-8-11(15)14(10)16/h5,7-8,12-13H,3-4,6,9,17H2,1-2H3
InChIKeyJLHVOQUFVVCHNC-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2-bromophenyl)-3-ethoxyhexan-2-amine
CID 116717551
1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
CID 102857957
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
[1-(2,3-dichlorophenyl)-3-ethoxybutan-2-yl]hydrazine
CID 107312651
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
CID 2313836
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 107312791
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine (CID 107309069) is 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine is CCCC(OCC)C(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine?
The InChIKey is JLHVOQUFVVCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-6-13(18-4-2)12(17)9-10-7-5-8-11(15)14(10)16/h5,7-8,12-13H,3-4,6,9,17H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine?
1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine is sourced from PubChem (CID 107309069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).