(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine

C12H19NO2 — CID 97011790

IUPAC(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1cccc([C@@H](N)C(C)C)c1OC
InChIInChI=1S/C12H19NO2/c1-8(2)11(13)9-6-5-7-10(14-3)12(9)15-4/h5-8,11H,13H2,1-4H3/t11-/m0/s1
InChIKeyCLUGXDVCZWRSBO-NSHDSACASA-N
MW209.29 g/mol
LogP2.36
Rot. Bonds4

About (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine

(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine (PubChem CID 97011790) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
PubChem CID97011790
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1cccc([C@@H](N)C(C)C)c1OC
InChIInChI=1S/C12H19NO2/c1-8(2)11(13)9-6-5-7-10(14-3)12(9)15-4/h5-8,11H,13H2,1-4H3/t11-/m0/s1
InChIKeyCLUGXDVCZWRSBO-NSHDSACASA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
CID 114013501
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83689427
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine (CID 97011790) is (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine is COc1cccc([C@@H](N)C(C)C)c1OC.
What is the InChIKey of (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is CLUGXDVCZWRSBO-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)11(13)9-6-5-7-10(14-3)12(9)15-4/h5-8,11H,13H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine?
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 97011790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).