N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine

C11H16BrNO — CID 2850634

IUPACN-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyANRZOKKUGCVPCU-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine

N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 2850634) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine
PubChem CID2850634
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3
InChIKeyANRZOKKUGCVPCU-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-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine (CID 2850634) is N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is ANRZOKKUGCVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine?
N-[(4-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-[(4-bromophenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 2850634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).