1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine

C17H28ClNO — CID 106868795

IUPAC1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(C)cc1Cl)NCC
InChIInChI=1S/C17H28ClNO/c1-5-8-17(20-7-3)16(19-6-2)12-14-10-9-13(4)11-15(14)18/h9-11,16-17,19H,5-8,12H2,1-4H3
InChIKeySPICZCAHIWNMKH-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.37
Rot. Bonds9

About 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine

1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine (PubChem CID 106868795) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
PubChem CID106868795
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(C)cc1Cl)NCC
InChIInChI=1S/C17H28ClNO/c1-5-8-17(20-7-3)16(19-6-2)12-14-10-9-13(4)11-15(14)18/h9-11,16-17,19H,5-8,12H2,1-4H3
InChIKeySPICZCAHIWNMKH-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 106866902

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine (CID 106868795) is 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine is CCCC(OCC)C(Cc1ccc(C)cc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine?
The InChIKey is SPICZCAHIWNMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-8-17(20-7-3)16(19-6-2)12-14-10-9-13(4)11-15(14)18/h9-11,16-17,19H,5-8,12H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine?
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine is sourced from PubChem (CID 106868795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).