2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine

C16H24BrNO — CID 103138887

IUPAC2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCCNCC(CC1CCC(C)O1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-3-18-11-14(10-16-8-7-12(2)19-16)13-5-4-6-15(17)9-13/h4-6,9,12,14,16,18H,3,7-8,10-11H2,1-2H3
InChIKeyJDXVGNJUYJBZGL-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.10
Rot. Bonds6

About 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine

2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 103138887) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID103138887
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCCNCC(CC1CCC(C)O1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-3-18-11-14(10-16-8-7-12(2)19-16)13-5-4-6-15(17)9-13/h4-6,9,12,14,16,18H,3,7-8,10-11H2,1-2H3
InChIKeyJDXVGNJUYJBZGL-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138315
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(3-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617873
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine (CID 103138887) is 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine is CCNCC(CC1CCC(C)O1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is JDXVGNJUYJBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-11-14(10-16-8-7-12(2)19-16)13-5-4-6-15(17)9-13/h4-6,9,12,14,16,18H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103138887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).