1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine

C18H22BrNO — CID 63640996

IUPAC1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO/c1-4-20-14(3)17-10-5-13(2)11-18(17)21-12-15-6-8-16(19)9-7-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyUVJVVPQRRJVXLN-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.01
Rot. Bonds6

About 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine

1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine (PubChem CID 63640996) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
PubChem CID63640996
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO/c1-4-20-14(3)17-10-5-13(2)11-18(17)21-12-15-6-8-16(19)9-7-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyUVJVVPQRRJVXLN-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine (CID 63640996) is 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine is CCNC(C)c1ccc(C)cc1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine?
The InChIKey is UVJVVPQRRJVXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-14(3)17-10-5-13(2)11-18(17)21-12-15-6-8-16(19)9-7-15/h5-11,14,20H,4,12H2,1-3H3.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine?
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine has a molecular weight of 348.28 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 63640996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).