1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C15H22BrNO2 — CID 62905298

IUPAC1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(NC)C1CCOCC1
InChIInChI=1S/C15H22BrNO2/c1-3-19-14-5-4-12(16)10-13(14)15(17-2)11-6-8-18-9-7-11/h4-5,10-11,15,17H,3,6-9H2,1-2H3
InChIKeyXMTLAOXKIDRRBE-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.53
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62905298) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62905298
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(NC)C1CCOCC1
InChIInChI=1S/C15H22BrNO2/c1-3-19-14-5-4-12(16)10-13(14)15(17-2)11-6-8-18-9-7-11/h4-5,10-11,15,17H,3,6-9H2,1-2H3
InChIKeyXMTLAOXKIDRRBE-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]oxane
CID 62907272
1-[(S)-(5-bromo-2-ethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278487
N-[(5-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855995
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
1-(5-bromo-2-ethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156172
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62905298) is 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CCOc1ccc(Br)cc1C(NC)C1CCOCC1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is XMTLAOXKIDRRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-19-14-5-4-12(16)10-13(14)15(17-2)11-6-8-18-9-7-11/h4-5,10-11,15,17H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 328.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62905298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).