1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

C17H20BrNO — CID 105022211

IUPAC1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2cc(C)ccc2Br)c1
InChIInChI=1S/C17H20BrNO/c1-4-20-14-7-5-6-13(11-14)17(19-3)15-10-12(2)8-9-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyGKEUFWMTXHPDDV-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.47
Rot. Bonds5

About 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 105022211) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
PubChem CID105022211
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2cc(C)ccc2Br)c1
InChIInChI=1S/C17H20BrNO/c1-4-20-14-7-5-6-13(11-14)17(19-3)15-10-12(2)8-9-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyGKEUFWMTXHPDDV-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 106762224
1-(4-bromo-2-methoxyphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022233
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
[(2-bromo-5-methoxyphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328079
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(2,6-dimethyl-3-pyridinyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173207
1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022348
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (CID 105022211) is 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2cc(C)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is GKEUFWMTXHPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-14-7-5-6-13(11-14)17(19-3)15-10-12(2)8-9-16(15)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.47, 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-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105022211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).