N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine

C11H16BrNO — CID 2850590

IUPACN-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyLNIRWCQAYSWNPP-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.57
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine

N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 2850590) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID2850590
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyLNIRWCQAYSWNPP-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine (CID 2850590) is N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is LNIRWCQAYSWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine?
N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 2850590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).