(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride

C14H24ClNO2 — CID 171250432

IUPAC(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCCOc1ccc([C@H](N)C(C)(C)C)cc1OC.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-6-17-11-8-7-10(9-12(11)16-5)13(15)14(2,3)4;/h7-9,13H,6,15H2,1-5H3;1H/t13-;/m0./s1
InChIKeyKLZQJEDFFBNYNJ-ZOWNYOTGSA-N
MW273.80 g/mol
LogP3.56
Rot. Bonds4

About (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride

(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171250432) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171250432
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCCOc1ccc([C@H](N)C(C)(C)C)cc1OC.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-6-17-11-8-7-10(9-12(11)16-5)13(15)14(2,3)4;/h7-9,13H,6,15H2,1-5H3;1H/t13-;/m0./s1
InChIKeyKLZQJEDFFBNYNJ-ZOWNYOTGSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(3S)-3-amino-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171250430
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
methyl (3S)-3-amino-3-(3-ethoxy-4-methoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171250033
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
1-(3,4-diethoxyphenyl)-2-ethoxy-2-methylbutan-1-amine
CID 116758530
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171250432) is (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride is CCOc1ccc([C@H](N)C(C)(C)C)cc1OC.Cl.
What is the InChIKey of (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is KLZQJEDFFBNYNJ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-6-17-11-8-7-10(9-12(11)16-5)13(15)14(2,3)4;/h7-9,13H,6,15H2,1-5H3;1H/t13-;/m0./s1.
What are the key properties of (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171250432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).