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

C16H23Cl2NO — CID 107309012

IUPAC1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)CC1CCOC1
InChIInChI=1S/C16H23Cl2NO/c1-2-7-19-14(9-12-6-8-20-11-12)10-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,2,6-11H2,1H3
InChIKeyCRABGOQYNBRVFP-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.33
Rot. Bonds7

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

1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (PubChem CID 107309012) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
PubChem CID107309012
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)CC1CCOC1
InChIInChI=1S/C16H23Cl2NO/c1-2-7-19-14(9-12-6-8-20-11-12)10-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,2,6-11H2,1H3
InChIKeyCRABGOQYNBRVFP-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987571
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987549
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (CID 107309012) is 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(Cl)c1Cl)CC1CCOC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The InChIKey is CRABGOQYNBRVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-7-19-14(9-12-6-8-20-11-12)10-13-4-3-5-15(17)16(13)18/h3-5,12,14,19H,2,6-11H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine has a molecular weight of 316.27 g/mol, XLogP of 4.33, 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-(oxolan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 107309012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).