(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine

C12H19NO — CID 42325849

IUPAC(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccccc1C[C@H](C)CN
InChIInChI=1S/C12H19NO/c1-3-14-12-7-5-4-6-11(12)8-10(2)9-13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
InChIKeyDJVQMFOLWWNOON-JTQLQIEISA-N
MW193.29 g/mol
LogP2.22
Rot. Bonds5

About (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine

(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine (PubChem CID 42325849) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
PubChem CID42325849
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccccc1C[C@H](C)CN
InChIInChI=1S/C12H19NO/c1-3-14-12-7-5-4-6-11(12)8-10(2)9-13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
InChIKeyDJVQMFOLWWNOON-JTQLQIEISA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
CID 66220330
5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine
CID 91033920
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-(4-amino-2-methylbutyl)-6-ethoxyphenol
CID 83930768
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
CID 83975069
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100543995
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine (CID 42325849) is (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine is CCOc1ccccc1C[C@H](C)CN.
What is the InChIKey of (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is DJVQMFOLWWNOON-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO/c1-3-14-12-7-5-4-6-11(12)8-10(2)9-13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine?
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 42325849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).