N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

C17H19BrClNO — CID 107945309

IUPACN-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1ccc(OC)cc1C
InChIInChI=1S/C17H19BrClNO/c1-4-20-17(12-8-13(18)10-14(19)9-12)16-6-5-15(21-3)7-11(16)2/h5-10,17,20H,4H2,1-3H3
InChIKeyLILCOCHHUNZICC-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.12
Rot. Bonds5

About N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine (PubChem CID 107945309) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
PubChem CID107945309
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Br)c1)c1ccc(OC)cc1C
InChIInChI=1S/C17H19BrClNO/c1-4-20-17(12-8-13(18)10-14(19)9-12)16-6-5-15(21-3)7-11(16)2/h5-10,17,20H,4H2,1-3H3
InChIKeyLILCOCHHUNZICC-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-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(2-bromo-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63210003
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 62514109
N-[(3-bromo-5-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 107946591
1-[bromo-(3,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438831
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 82873200

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine (CID 107945309) is N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Br)c1)c1ccc(OC)cc1C.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
The InChIKey is LILCOCHHUNZICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-4-20-17(12-8-13(18)10-14(19)9-12)16-6-5-15(21-3)7-11(16)2/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine?
N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)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-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107945309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).