1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine

C17H20BrNO — CID 105121873

IUPAC1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(OC)ccc2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-4-12-5-7-13(8-6-12)17(19-2)15-11-14(20-3)9-10-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyPUPUQMYLQMQXSO-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine

1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 105121873) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID105121873
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(OC)ccc2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-4-12-5-7-13(8-6-12)17(19-2)15-11-14(20-3)9-10-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyPUPUQMYLQMQXSO-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
[(2-bromo-5-methoxyphenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326340
[(2,5-dimethoxyphenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197445
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106657320
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine (CID 105121873) is 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2cc(OC)ccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is PUPUQMYLQMQXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-12-5-7-13(8-6-12)17(19-2)15-11-14(20-3)9-10-16(15)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).