(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine

C13H21NO — CID 94424615

IUPAC(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1cccc([C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-5-15-11-8-6-7-10(9-11)12(14)13(2,3)4/h6-9,12H,5,14H2,1-4H3/t12-/m1/s1
InChIKeyVLRWMYCADJMRTD-GFCCVEGCSA-N
MW207.32 g/mol
LogP3.13
Rot. Bonds3

About (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine

(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 94424615) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID94424615
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1cccc([C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-5-15-11-8-6-7-10(9-11)12(14)13(2,3)4/h6-9,12H,5,14H2,1-4H3/t12-/m1/s1
InChIKeyVLRWMYCADJMRTD-GFCCVEGCSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214
(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171241497
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
CID 55095433
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
ethyl (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171241487
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine (CID 94424615) is (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine is CCOc1cccc([C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is VLRWMYCADJMRTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-15-11-8-6-7-10(9-11)12(14)13(2,3)4/h6-9,12H,5,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine?
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 94424615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).