1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine

C14H22BrNO — CID 82927336

IUPAC1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
SMILESCCC(CC)COc1ccc(CNC)cc1Br
InChIInChI=1S/C14H22BrNO/c1-4-11(5-2)10-17-14-7-6-12(9-16-3)8-13(14)15/h6-8,11,16H,4-5,9-10H2,1-3H3
InChIKeyBYUYJGHATVNIAS-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.98
Rot. Bonds7

About 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine

1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine (PubChem CID 82927336) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
PubChem CID82927336
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
SMILESCCC(CC)COc1ccc(CNC)cc1Br
InChIInChI=1S/C14H22BrNO/c1-4-11(5-2)10-17-14-7-6-12(9-16-3)8-13(14)15/h6-8,11,16H,4-5,9-10H2,1-3H3
InChIKeyBYUYJGHATVNIAS-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63989254
methyl 3-[3-bromo-4-(2-ethylbutoxy)phenyl]propanoate
CID 165347629
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988607
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988605
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine (CID 82927336) is 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine is CCC(CC)COc1ccc(CNC)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine?
The InChIKey is BYUYJGHATVNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-11(5-2)10-17-14-7-6-12(9-16-3)8-13(14)15/h6-8,11,16H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82927336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).