[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine

C14H21BrN2O — CID 114879953

IUPAC[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
SMILESCN1CCCC1CCOc1cccc(Br)c1CN
InChIInChI=1S/C14H21BrN2O/c1-17-8-3-4-11(17)7-9-18-14-6-2-5-13(15)12(14)10-16/h2,5-6,11H,3-4,7-10,16H2,1H3
InChIKeyMZHBAQIVFLVXRI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.77
Rot. Bonds5

About [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine

[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine (PubChem CID 114879953) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
PubChem CID114879953
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
SMILESCN1CCCC1CCOc1cccc(Br)c1CN
InChIInChI=1S/C14H21BrN2O/c1-17-8-3-4-11(17)7-9-18-14-6-2-5-13(15)12(14)10-16/h2,5-6,11H,3-4,7-10,16H2,1H3
InChIKeyMZHBAQIVFLVXRI-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932
2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
CID 107913194
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
[2-bromo-6-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103400825

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine (CID 114879953) is [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine is CN1CCCC1CCOc1cccc(Br)c1CN.
What is the InChIKey of [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is MZHBAQIVFLVXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17-8-3-4-11(17)7-9-18-14-6-2-5-13(15)12(14)10-16/h2,5-6,11H,3-4,7-10,16H2,1H3.
What are the key properties of [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 313.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 114879953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).