1-(3-methoxyphenyl)-N-methylbutan-2-amine

C12H19NO — CID 61065553

IUPAC1-(3-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCC(Cc1cccc(OC)c1)NC
InChIInChI=1S/C12H19NO/c1-4-11(13-2)8-10-6-5-7-12(9-10)14-3/h5-7,9,11,13H,4,8H2,1-3H3
InChIKeyBJFDSKYTRKFAJY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methylbutan-2-amine

1-(3-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 61065553) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID61065553
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCC(Cc1cccc(OC)c1)NC
InChIInChI=1S/C12H19NO/c1-4-11(13-2)8-10-6-5-7-12(9-10)14-3/h5-7,9,11,13H,4,8H2,1-3H3
InChIKeyBJFDSKYTRKFAJY-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
CID 62309396
1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135010
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
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1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methylbutan-2-amine (CID 61065553) is 1-(3-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methylbutan-2-amine is CCC(Cc1cccc(OC)c1)NC.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is BJFDSKYTRKFAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11(13-2)8-10-6-5-7-12(9-10)14-3/h5-7,9,11,13H,4,8H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methylbutan-2-amine?
1-(3-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 61065553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).