(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine

C14H23NO3 — CID 171246095

IUPAC(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c([C@H](N)C(C)(C)C)cc1OC
InChIInChI=1S/C14H23NO3/c1-14(2,3)13(15)9-7-11(17-5)12(18-6)8-10(9)16-4/h7-8,13H,15H2,1-6H3/t13-/m0/s1
InChIKeyVHABVHYZNWDOQE-ZDUSSCGKSA-N
MW253.34 g/mol
LogP2.76
Rot. Bonds4

About (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine

(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 171246095) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID171246095
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c([C@H](N)C(C)(C)C)cc1OC
InChIInChI=1S/C14H23NO3/c1-14(2,3)13(15)9-7-11(17-5)12(18-6)8-10(9)16-4/h7-8,13H,15H2,1-6H3/t13-/m0/s1
InChIKeyVHABVHYZNWDOQE-ZDUSSCGKSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171239119
methyl (3S)-3-amino-2,2-dimethyl-3-(2,4,5-trimethoxyphenyl)propanoate
CID 171246080
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(1R,2S)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171160797
(1S,2R)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171162228
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
(3R)-3-amino-2,2-difluoro-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171239383
(1R,3S)-3-amino-4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-ol
CID 171236802
3-methyl-1-(2,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933618
4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-amine
CID 115849727

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine (CID 171246095) is (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine is COc1cc(OC)c([C@H](N)C(C)(C)C)cc1OC.
What is the InChIKey of (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is VHABVHYZNWDOQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)13(15)9-7-11(17-5)12(18-6)8-10(9)16-4/h7-8,13H,15H2,1-6H3/t13-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine?
(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 171246095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).