1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine

C17H25Cl2NO — CID 63952139

IUPAC1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2NO/c1-2-10-20-17(9-7-14-5-3-4-11-21-14)15-8-6-13(18)12-16(15)19/h6,8,12,14,17,20H,2-5,7,9-11H2,1H3
InChIKeyTTYKACVYWCWMAE-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.38
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine

1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine (PubChem CID 63952139) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
PubChem CID63952139
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2NO/c1-2-10-20-17(9-7-14-5-3-4-11-21-14)15-8-6-13(18)12-16(15)19/h6,8,12,14,17,20H,2-5,7,9-11H2,1H3
InChIKeyTTYKACVYWCWMAE-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine (CID 63952139) is 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The InChIKey is TTYKACVYWCWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-2-10-20-17(9-7-14-5-3-4-11-21-14)15-8-6-13(18)12-16(15)19/h6,8,12,14,17,20H,2-5,7,9-11H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine has a molecular weight of 330.30 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63952139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).