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

C13H21NO — CID 131536439

IUPAC(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc([C@@H](N)C(C)(C)C)ccc1C
InChIInChI=1S/C13H21NO/c1-9-6-7-10(8-11(9)15-5)12(14)13(2,3)4/h6-8,12H,14H2,1-5H3/t12-/m1/s1
InChIKeyWUTCXIQNCRLRQD-GFCCVEGCSA-N
MW207.32 g/mol
LogP3.05
Rot. Bonds2

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

(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 131536439) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
PubChem CID131536439
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1cc([C@@H](N)C(C)(C)C)ccc1C
InChIInChI=1S/C13H21NO/c1-9-6-7-10(8-11(9)15-5)12(14)13(2,3)4/h6-8,12H,14H2,1-5H3/t12-/m1/s1
InChIKeyWUTCXIQNCRLRQD-GFCCVEGCSA-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

1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 55296322
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
[4-[(1R)-1-amino-2,2-dimethylpropyl]-2-methoxyphenyl] acetate
CID 171250068
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-methylphenyl)butan-1-amine
CID 171205463
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine (CID 131536439) is (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine is COc1cc([C@@H](N)C(C)(C)C)ccc1C.
What is the InChIKey of (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is WUTCXIQNCRLRQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-6-7-10(8-11(9)15-5)12(14)13(2,3)4/h6-8,12H,14H2,1-5H3/t12-/m1/s1.
What are the key properties of (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine?
(1S)-1-(3-methoxy-4-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 (1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 131536439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).