2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine

C14H23NO — CID 116757756

IUPAC2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
SMILESCCC(C)(OC)C(NC)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-6-14(3,16-5)13(15-4)12-10-8-7-9-11(12)2/h7-10,13,15H,6H2,1-5H3
InChIKeyOMKLAMZQTYVPMW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds5

About 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine

2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine (PubChem CID 116757756) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
PubChem CID116757756
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
SMILESCCC(C)(OC)C(NC)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-6-14(3,16-5)13(15-4)12-10-8-7-9-11(12)2/h7-10,13,15H,6H2,1-5H3
InChIKeyOMKLAMZQTYVPMW-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
CID 116759979
[2,2-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105286147
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
CID 116758612
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine (CID 116757756) is 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine is CCC(C)(OC)C(NC)c1ccccc1C.
What is the InChIKey of 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine?
The InChIKey is OMKLAMZQTYVPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-14(3,16-5)13(15-4)12-10-8-7-9-11(12)2/h7-10,13,15H,6H2,1-5H3.
What are the key properties of 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine?
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 116757756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).