1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine

C13H21NO — CID 79615957

IUPAC1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO/c1-9-5-6-12(7-10(9)2)8-13(14)11(3)15-4/h5-7,11,13H,8,14H2,1-4H3
InChIKeyLUADMMOPZXGTGR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine

1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine (PubChem CID 79615957) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
PubChem CID79615957
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO/c1-9-5-6-12(7-10(9)2)8-13(14)11(3)15-4/h5-7,11,13H,8,14H2,1-4H3
InChIKeyLUADMMOPZXGTGR-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-methoxy-4-methylpentan-2-amine
CID 116719832
1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
CID 79616585
1-(3-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198122
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
2-[(3,4-dimethylphenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973412

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine (CID 79615957) is 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine is COC(C)C(N)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine?
The InChIKey is LUADMMOPZXGTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-5-6-12(7-10(9)2)8-13(14)11(3)15-4/h5-7,11,13H,8,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine?
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine is sourced from PubChem (CID 79615957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).