1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C16H23Cl2NO — CID 104993774

IUPAC1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-2-7-19-16(6-5-15-4-3-8-20-15)12-9-13(17)11-14(18)10-12/h9-11,15-16,19H,2-8H2,1H3
InChIKeyPRXRQNVQIHPMAA-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.99
Rot. Bonds7

About 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 104993774) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID104993774
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-2-7-19-16(6-5-15-4-3-8-20-15)12-9-13(17)11-14(18)10-12/h9-11,15-16,19H,2-8H2,1H3
InChIKeyPRXRQNVQIHPMAA-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
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-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 104993774) is 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is PRXRQNVQIHPMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-7-19-16(6-5-15-4-3-8-20-15)12-9-13(17)11-14(18)10-12/h9-11,15-16,19H,2-8H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 316.27 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 104993774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).