N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine

C17H19BrClNO — CID 66158776

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
SMILESCCOCc1ccccc1CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C17H19BrClNO/c1-2-21-12-14-6-4-3-5-13(14)10-20-11-15-9-16(19)7-8-17(15)18/h3-9,20H,2,10-12H2,1H3
InChIKeyWSZSYGJFPPDZTJ-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.93
Rot. Bonds7

About N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine

N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine (PubChem CID 66158776) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
PubChem CID66158776
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
SMILESCCOCc1ccccc1CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C17H19BrClNO/c1-2-21-12-14-6-4-3-5-13(14)10-20-11-15-9-16(19)7-8-17(15)18/h3-9,20H,2,10-12H2,1H3
InChIKeyWSZSYGJFPPDZTJ-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60924648
1-(3-bromophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]methanamine
CID 60752045
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60752480
1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719676
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
CID 114075412
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66159083
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine (CID 66158776) is N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine is CCOCc1ccccc1CNCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
The InChIKey is WSZSYGJFPPDZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-21-12-14-6-4-3-5-13(14)10-20-11-15-9-16(19)7-8-17(15)18/h3-9,20H,2,10-12H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine has a molecular weight of 368.70 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 66158776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).