1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine

C14H23NO — CID 81373255

IUPAC1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
SMILESCCC(COC)N[C@H](C)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-13(10-16-4)15-12(3)14-9-7-6-8-11(14)2/h6-9,12-13,15H,5,10H2,1-4H3/t12-,13?/m1/s1
InChIKeyFDXZYTOJOPRILA-PZORYLMUSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds6

About 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine

1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine (PubChem CID 81373255) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
PubChem CID81373255
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
SMILESCCC(COC)N[C@H](C)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-13(10-16-4)15-12(3)14-9-7-6-8-11(14)2/h6-9,12-13,15H,5,10H2,1-4H3/t12-,13?/m1/s1
InChIKeyFDXZYTOJOPRILA-PZORYLMUSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
CID 28511998
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
CID 81344361
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-methoxybutan-2-amine
CID 81338305

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine (CID 81373255) is 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine is CCC(COC)N[C@H](C)c1ccccc1C.
What is the InChIKey of 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine?
The InChIKey is FDXZYTOJOPRILA-PZORYLMUSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(10-16-4)15-12(3)14-9-7-6-8-11(14)2/h6-9,12-13,15H,5,10H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine?
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 81373255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).