N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine

C12H18BrNO2 — CID 2852062

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO2/c1-9(8-15-2)14-7-10-6-11(13)4-5-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyNXIASJWGKWHGDA-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.58
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 2852062) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID2852062
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO2/c1-9(8-15-2)14-7-10-6-11(13)4-5-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyNXIASJWGKWHGDA-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine (CID 2852062) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is NXIASJWGKWHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(8-15-2)14-7-10-6-11(13)4-5-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 2852062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).