(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine

C12H19NO — CID 55278250

IUPAC(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
SMILESCCC[C@@H](N)c1cc(C)ccc1OC
InChIInChI=1S/C12H19NO/c1-4-5-11(13)10-8-9(2)6-7-12(10)14-3/h6-8,11H,4-5,13H2,1-3H3/t11-/m1/s1
InChIKeyUBBRRHPPGPIBPZ-LLVKDONJSA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds4

About (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine

(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine (PubChem CID 55278250) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
PubChem CID55278250
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
SMILESCCC[C@@H](N)c1cc(C)ccc1OC
InChIInChI=1S/C12H19NO/c1-4-5-11(13)10-8-9(2)6-7-12(10)14-3/h6-8,11H,4-5,13H2,1-3H3/t11-/m1/s1
InChIKeyUBBRRHPPGPIBPZ-LLVKDONJSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
4-amino-4-(2-methoxy-5-methylphenyl)butanenitrile
CID 116939962
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine?
The IUPAC name of (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine (CID 55278250) is (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine.
What is the SMILES notation for (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine?
The canonical SMILES for (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine is CCC[C@@H](N)c1cc(C)ccc1OC.
What is the InChIKey of (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine?
The InChIKey is UBBRRHPPGPIBPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-11(13)10-8-9(2)6-7-12(10)14-3/h6-8,11H,4-5,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine?
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine is sourced from PubChem (CID 55278250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).