3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine

C12H19NO — CID 121314723

IUPAC3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCOCC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,9-14-3)11(13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKeyZGMHYUZRNSQJQG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds4

About 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine

3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 121314723) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID121314723
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCOCC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,9-14-3)11(13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKeyZGMHYUZRNSQJQG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 55163332
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
CID 59975349
2,2-dimethyl-N',N'-bis(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 63493468
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
CID 106674147
(3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-ol;hydrochloride
CID 171249308
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
(2R)-2-amino-N-(3-methoxy-2,2-dimethylpropyl)-2-phenylacetamide
CID 56861248
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine (CID 121314723) is 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine is COCC(C)(C)C(N)c1ccccc1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is ZGMHYUZRNSQJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,9-14-3)11(13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine?
3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 121314723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).