1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

C16H24BrNO — CID 107985085

IUPAC1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(C)c1Br
InChIInChI=1S/C16H24BrNO/c1-3-18-15(10-9-13-7-5-11-19-13)14-8-4-6-12(2)16(14)17/h4,6,8,13,15,18H,3,5,7,9-11H2,1-2H3
InChIKeyYRTXNQGDDUYACR-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.37
Rot. Bonds6

About 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 107985085) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID107985085
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(C)c1Br
InChIInChI=1S/C16H24BrNO/c1-3-18-15(10-9-13-7-5-11-19-13)14-8-4-6-12(2)16(14)17/h4,6,8,13,15,18H,3,5,7,9-11H2,1-2H3
InChIKeyYRTXNQGDDUYACR-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (CID 107985085) is 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is YRTXNQGDDUYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-15(10-9-13-7-5-11-19-13)14-8-4-6-12(2)16(14)17/h4,6,8,13,15,18H,3,5,7,9-11H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 107985085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).