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

C15H22BrNO — CID 114024223

IUPAC1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cccc(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-11-5-3-7-13(15(11)16)14(17-2)9-8-12-6-4-10-18-12/h3,5,7,12,14,17H,4,6,8-10H2,1-2H3
InChIKeyWECGOYHRZQMWPA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.98
Rot. Bonds5

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

1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 114024223) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID114024223
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cccc(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-11-5-3-7-13(15(11)16)14(17-2)9-8-12-6-4-10-18-12/h3,5,7,12,14,17H,4,6,8-10H2,1-2H3
InChIKeyWECGOYHRZQMWPA-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
1-(2,5-dimethylthiophen-3-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156219
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 114024223) is 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is WECGOYHRZQMWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-5-3-7-13(15(11)16)14(17-2)9-8-12-6-4-10-18-12/h3,5,7,12,14,17H,4,6,8-10H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.98, 5 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-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 114024223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).