N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine

C17H19BrClNO — CID 107982128

IUPACN-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1cccc(C)c1Br
InChIInChI=1S/C17H19BrClNO/c1-4-20-17(13-7-5-6-11(2)16(13)18)14-10-12(19)8-9-15(14)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyMHGOMLNIXASHOF-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.12
Rot. Bonds5

About N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 107982128) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
PubChem CID107982128
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1cccc(C)c1Br
InChIInChI=1S/C17H19BrClNO/c1-4-20-17(13-7-5-6-11(2)16(13)18)14-10-12(19)8-9-15(14)21-3/h5-10,17,20H,4H2,1-3H3
InChIKeyMHGOMLNIXASHOF-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 115861522
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 102828487
N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491448
N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine (CID 107982128) is N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1OC)c1cccc(C)c1Br.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is MHGOMLNIXASHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-4-20-17(13-7-5-6-11(2)16(13)18)14-10-12(19)8-9-15(14)21-3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 368.70 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107982128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).