1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine

C17H26ClNO — CID 115812068

IUPAC1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-2-11-19-17(14-6-5-7-15(18)13-14)10-9-16-8-3-4-12-20-16/h5-7,13,16-17,19H,2-4,8-12H2,1H3
InChIKeyKGJIDHQOYFABDI-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.73
Rot. Bonds7

About 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine

1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine (PubChem CID 115812068) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
PubChem CID115812068
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-2-11-19-17(14-6-5-7-15(18)13-14)10-9-16-8-3-4-12-20-16/h5-7,13,16-17,19H,2-4,8-12H2,1H3
InChIKeyKGJIDHQOYFABDI-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
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-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
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
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105050527

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine (CID 115812068) is 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCO1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The InChIKey is KGJIDHQOYFABDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-11-19-17(14-6-5-7-15(18)13-14)10-9-16-8-3-4-12-20-16/h5-7,13,16-17,19H,2-4,8-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 115812068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).