1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine

C13H21NO — CID 43379636

IUPAC1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)C)cc1C
InChIInChI=1S/C13H21NO/c1-9-8-10(6-7-11(9)15-5)12(14)13(2,3)4/h6-8,12H,14H2,1-5H3
InChIKeyDGAIFSQPDBQABP-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.05
Rot. Bonds2

About 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine

1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 43379636) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
PubChem CID43379636
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)C)cc1C
InChIInChI=1S/C13H21NO/c1-9-8-10(6-7-11(9)15-5)12(14)13(2,3)4/h6-8,12H,14H2,1-5H3
InChIKeyDGAIFSQPDBQABP-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
CID 56971873
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
methyl (3R)-3-amino-3-(4-methoxy-3-methylphenyl)-2,2-dimethylpropanoate
CID 171244192
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265096
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine (CID 43379636) is 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine is COc1ccc(C(N)C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is DGAIFSQPDBQABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-8-10(6-7-11(9)15-5)12(14)13(2,3)4/h6-8,12H,14H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine?
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43379636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).