N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine

C19H24BrN — CID 105018464

IUPACN-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1cc(Br)ccc1C
InChIInChI=1S/C19H24BrN/c1-4-11-21-19(16-8-6-7-15(5-2)12-16)18-13-17(20)10-9-14(18)3/h6-10,12-13,19,21H,4-5,11H2,1-3H3
InChIKeyHLTZOPRPBAXGKV-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.41
Rot. Bonds6

About N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine

N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine (PubChem CID 105018464) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
PubChem CID105018464
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1cc(Br)ccc1C
InChIInChI=1S/C19H24BrN/c1-4-11-21-19(16-8-6-7-15(5-2)12-16)18-13-17(20)10-9-14(18)3/h6-10,12-13,19,21H,4-5,11H2,1-3H3
InChIKeyHLTZOPRPBAXGKV-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(3-bromophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64990200
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018504
[(2,5-dibromophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326320
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine (CID 105018464) is N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)c1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
The InChIKey is HLTZOPRPBAXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-11-21-19(16-8-6-7-15(5-2)12-16)18-13-17(20)10-9-14(18)3/h6-10,12-13,19,21H,4-5,11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.41, 6 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]propan-1-amine is sourced from PubChem (CID 105018464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).