1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide

C12H20BrNO — CID 21150467

IUPAC1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
SMILESBr.CNC(C)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C12H19NO.BrH/c1-9-7-11(8-10(2)13-3)5-6-12(9)14-4;/h5-7,10,13H,8H2,1-4H3;1H
InChIKeyUXUZLQZNGTWBLY-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide

1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide (PubChem CID 21150467) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
PubChem CID21150467
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
SMILESBr.CNC(C)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C12H19NO.BrH/c1-9-7-11(8-10(2)13-3)5-6-12(9)14-4;/h5-7,10,13H,8H2,1-4H3;1H
InChIKeyUXUZLQZNGTWBLY-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
2-chloro-3-(4-methoxy-3-methylphenyl)propanal
CID 62394660
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43487404
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide (CID 21150467) is 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide is Br.CNC(C)Cc1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide?
The InChIKey is UXUZLQZNGTWBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.BrH/c1-9-7-11(8-10(2)13-3)5-6-12(9)14-4;/h5-7,10,13H,8H2,1-4H3;1H.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide?
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide has a molecular weight of 274.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide is sourced from PubChem (CID 21150467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).