1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

C14H21BrN2O — CID 54986156

IUPAC1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-16-11-13-3-2-8-17(13)9-10-18-14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyOGQQVVZSIZGCTF-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.51
Rot. Bonds6

About 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 54986156) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID54986156
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-16-11-13-3-2-8-17(13)9-10-18-14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyOGQQVVZSIZGCTF-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580767
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490255
1-[2-(4-bromophenoxy)ethyl]-2-(chloromethyl)azepane
CID 116638587
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928392
1-[2-(4-bromophenoxy)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751108
1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316758
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
CID 63250076
1-[2-(4-bromophenoxy)ethyl]-2,4-dimethyl-1,4-diazepane
CID 114087188
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
1-[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]-N-methylmethanamine
CID 83100712

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 54986156) is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is OGQQVVZSIZGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16-11-13-3-2-8-17(13)9-10-18-14-6-4-12(15)5-7-14/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 54986156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).