1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H25BrN2O — CID 106605900

IUPAC1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(CC1CCCN1)C(C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-13(14-5-7-15(17)8-6-14)19(10-11-20-2)12-16-4-3-9-18-16/h5-8,13,16,18H,3-4,9-12H2,1-2H3
InChIKeyFJELPQRSMUUABH-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.21
Rot. Bonds7

About 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106605900) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106605900
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(CC1CCCN1)C(C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-13(14-5-7-15(17)8-6-14)19(10-11-20-2)12-16-4-3-9-18-16/h5-8,13,16,18H,3-4,9-12H2,1-2H3
InChIKeyFJELPQRSMUUABH-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605901
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605745
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
CID 106617658
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106605900) is 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(CC1CCCN1)C(C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is FJELPQRSMUUABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-13(14-5-7-15(17)8-6-14)19(10-11-20-2)12-16-4-3-9-18-16/h5-8,13,16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106605900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).