1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine

C17H27Cl2NO — CID 116759408

IUPAC1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)C(C)(CC)OCC
InChIInChI=1S/C17H27Cl2NO/c1-5-10-20-16(17(4,6-2)21-7-3)12-13-11-14(18)8-9-15(13)19/h8-9,11,16,20H,5-7,10,12H2,1-4H3
InChIKeyUVCSNMJHHDSOQT-UHFFFAOYSA-N
MW332.31 g/mol
LogP5.11
Rot. Bonds9

About 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine

1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine (PubChem CID 116759408) has the molecular formula C17H27Cl2NO and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
PubChem CID116759408
Molecular FormulaC17H27Cl2NO
Molecular Weight332.31 g/mol
Exact Mass331.15
IUPAC Name1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)C(C)(CC)OCC
InChIInChI=1S/C17H27Cl2NO/c1-5-10-20-16(17(4,6-2)21-7-3)12-13-11-14(18)8-9-15(13)19/h8-9,11,16,20H,5-7,10,12H2,1-4H3
InChIKeyUVCSNMJHHDSOQT-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.31
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
CID 116759404
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 106868834
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
[1-(2,5-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105309938

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine (CID 116759408) is 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(Cl)ccc1Cl)C(C)(CC)OCC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
The InChIKey is UVCSNMJHHDSOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2NO/c1-5-10-20-16(17(4,6-2)21-7-3)12-13-11-14(18)8-9-15(13)19/h8-9,11,16,20H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine has a molecular weight of 332.31 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116759408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).