1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine

C10H14BrNO — CID 17157575

IUPAC1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(CNC)cc1Br
InChIInChI=1S/C10H14BrNO/c1-3-13-10-5-4-8(7-12-2)6-9(10)11/h4-6,12H,3,7H2,1-2H3
InChIKeyCXWTZGVFVSIFCL-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.57
Rot. Bonds4

About 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine

1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 17157575) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
PubChem CID17157575
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(CNC)cc1Br
InChIInChI=1S/C10H14BrNO/c1-3-13-10-5-4-8(7-12-2)6-9(10)11/h4-6,12H,3,7H2,1-2H3
InChIKeyCXWTZGVFVSIFCL-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120613
3-[2-bromo-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629204
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63989254

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine (CID 17157575) is 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine is CCOc1ccc(CNC)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is CXWTZGVFVSIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-13-10-5-4-8(7-12-2)6-9(10)11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine?
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 244.13 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 17157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).