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

C17H27Cl2NO — CID 116718299

IUPAC1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C(CCC)OCC
InChIInChI=1S/C17H27Cl2NO/c1-4-7-17(21-6-3)16(20-10-5-2)12-13-8-9-14(18)15(19)11-13/h8-9,11,16-17,20H,4-7,10,12H2,1-3H3
InChIKeyPLXVTSZJHYBTQA-UHFFFAOYSA-N
MW332.31 g/mol
LogP5.11
Rot. Bonds10

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

1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine (PubChem CID 116718299) has the molecular formula C17H27Cl2NO and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
PubChem CID116718299
Molecular FormulaC17H27Cl2NO
Molecular Weight332.31 g/mol
Exact Mass331.15
IUPAC Name1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C(CCC)OCC
InChIInChI=1S/C17H27Cl2NO/c1-4-7-17(21-6-3)16(20-10-5-2)12-13-8-9-14(18)15(19)11-13/h8-9,11,16-17,20H,4-7,10,12H2,1-3H3
InChIKeyPLXVTSZJHYBTQA-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine (CID 116718299) is 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)C(CCC)OCC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The InChIKey is PLXVTSZJHYBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2NO/c1-4-7-17(21-6-3)16(20-10-5-2)12-13-8-9-14(18)15(19)11-13/h8-9,11,16-17,20H,4-7,10,12H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine?
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine has a molecular weight of 332.31 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116718299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).