1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

C16H24BrNO — CID 103987520

IUPAC1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)CC1CCOC1
InChIInChI=1S/C16H24BrNO/c1-2-8-18-16(11-14-7-9-19-12-14)10-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyOVTGDVGTSJGECP-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.79
Rot. Bonds7

About 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (PubChem CID 103987520) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
PubChem CID103987520
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)CC1CCOC1
InChIInChI=1S/C16H24BrNO/c1-2-8-18-16(11-14-7-9-19-12-14)10-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyOVTGDVGTSJGECP-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987571
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[1-(5-bromo-2-fluorophenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987477
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (CID 103987520) is 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(Br)cc1)CC1CCOC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The InChIKey is OVTGDVGTSJGECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-8-18-16(11-14-7-9-19-12-14)10-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103987520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).