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

C18H22BrN — CID 105018537

IUPACN-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cc(Br)ccc1C
InChIInChI=1S/C18H22BrN/c1-4-14-7-6-8-15(11-14)18(20-5-2)17-12-16(19)10-9-13(17)3/h6-12,18,20H,4-5H2,1-3H3
InChIKeyPBZAWJZYBMEEPW-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.02
Rot. Bonds5

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

N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine (PubChem CID 105018537) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
PubChem CID105018537
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cc(Br)ccc1C
InChIInChI=1S/C18H22BrN/c1-4-14-7-6-8-15(11-14)18(20-5-2)17-12-16(19)10-9-13(17)3/h6-12,18,20H,4-5H2,1-3H3
InChIKeyPBZAWJZYBMEEPW-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018464
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
[(2,5-dibromophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326320
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 65308141
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(3-ethyl-6-methylpyridazin-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105171145
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105280590
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107945585
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine (CID 105018537) is N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
The InChIKey is PBZAWJZYBMEEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-14-7-6-8-15(11-14)18(20-5-2)17-12-16(19)10-9-13(17)3/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine has a molecular weight of 332.29 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105018537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).