N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine

C14H21BrN2O — CID 82967908

IUPACN-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine
SMILESCNC(C)c1ccc(Br)cc1N(C)C1CCOC1
InChIInChI=1S/C14H21BrN2O/c1-10(16-2)13-5-4-11(15)8-14(13)17(3)12-6-7-18-9-12/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyXCDJUDCXWGDTLM-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.95
Rot. Bonds4

About N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine

N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine (PubChem CID 82967908) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine
PubChem CID82967908
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine
SMILESCNC(C)c1ccc(Br)cc1N(C)C1CCOC1
InChIInChI=1S/C14H21BrN2O/c1-10(16-2)13-5-4-11(15)8-14(13)17(3)12-6-7-18-9-12/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyXCDJUDCXWGDTLM-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 43611306
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)aniline
CID 82968663
1-[3-bromo-4-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82741897
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
1-[4-bromo-2-[methyl(oxan-4-yl)amino]phenyl]ethanone
CID 82967435
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol
CID 82971025
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743614

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine (CID 82967908) is N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine is CNC(C)c1ccc(Br)cc1N(C)C1CCOC1.
What is the InChIKey of N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine?
The InChIKey is XCDJUDCXWGDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(16-2)13-5-4-11(15)8-14(13)17(3)12-6-7-18-9-12/h4-5,8,10,12,16H,6-7,9H2,1-3H3.
What are the key properties of N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine?
N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82967908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).