N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H22BrClN2O — CID 106606044

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccc(Cl)c(Br)c1)CC1CCCN1
InChIInChI=1S/C15H22BrClN2O/c1-20-8-7-19(11-13-3-2-6-18-13)10-12-4-5-15(17)14(16)9-12/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3
InChIKeyNGRRHGQZVZQHFS-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.30
Rot. Bonds7

About N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106606044) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106606044
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccc(Cl)c(Br)c1)CC1CCCN1
InChIInChI=1S/C15H22BrClN2O/c1-20-8-7-19(11-13-3-2-6-18-13)10-12-4-5-15(17)14(16)9-12/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3
InChIKeyNGRRHGQZVZQHFS-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606072
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243
2-methoxy-4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106606311
N-[(3,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605797
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605745
N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106994993
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606335
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
N-[(2-cyclopropylphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606362
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605900

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106606044) is N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(Cc1ccc(Cl)c(Br)c1)CC1CCCN1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is NGRRHGQZVZQHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-20-8-7-19(11-13-3-2-6-18-13)10-12-4-5-15(17)14(16)9-12/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 361.71 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106606044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).