1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine

C11H16BrNO — CID 84738148

IUPAC1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc(OC)c1Br
InChIInChI=1S/C11H16BrNO/c1-8(13-2)7-9-5-4-6-10(14-3)11(9)12/h4-6,8,13H,7H2,1-3H3
InChIKeyYRBGUQJBGNTQCW-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine

1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 84738148) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID84738148
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc(OC)c1Br
InChIInChI=1S/C11H16BrNO/c1-8(13-2)7-9-5-4-6-10(14-3)11(9)12/h4-6,8,13H,7H2,1-3H3
InChIKeyYRBGUQJBGNTQCW-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine
CID 117197951
2-bromo-1-(3-bromopropyl)-3-methoxybenzene
CID 119022579
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
CID 61391582

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine (CID 84738148) is 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine is CNC(C)Cc1cccc(OC)c1Br.
What is the InChIKey of 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is YRBGUQJBGNTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(13-2)7-9-5-4-6-10(14-3)11(9)12/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine?
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 258.16 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 84738148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).