N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine

C18H22BrNO — CID 43487806

IUPACN-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C18H22BrNO/c1-5-20-18(14-7-6-12(2)13(3)10-14)15-8-9-17(21-4)16(19)11-15/h6-11,18,20H,5H2,1-4H3
InChIKeySOJWEYPNYAKHQK-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.77
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine

N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 43487806) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID43487806
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C18H22BrNO/c1-5-20-18(14-7-6-12(2)13(3)10-14)15-8-9-17(21-4)16(19)11-15/h6-11,18,20H,5H2,1-4H3
InChIKeySOJWEYPNYAKHQK-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(3-bromo-4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212535
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487803

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine (CID 43487806) is N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is SOJWEYPNYAKHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-5-20-18(14-7-6-12(2)13(3)10-14)15-8-9-17(21-4)16(19)11-15/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43487806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).