2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine

C12H19NO — CID 124500369

IUPAC2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
SMILESCC(C)[C@@H](OCCN)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)12(14-9-8-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3/t12-/m1/s1
InChIKeyLGIIRRNEAXAGFI-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds5

About 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine

2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine (PubChem CID 124500369) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine.

Molecular Properties

Compound Name2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
PubChem CID124500369
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
SMILESCC(C)[C@@H](OCCN)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)12(14-9-8-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3/t12-/m1/s1
InChIKeyLGIIRRNEAXAGFI-GFCCVEGCSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
2-(3-methylbutoxy)-1,2-diphenylethanamine
CID 43104834
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
CID 112512699
bis[4-[2-(2-methyl-1-phenylpropoxy)ethyl]phenyl] carbonate
CID 141386007
[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
CID 10717396
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
CID 101083275

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine?
The IUPAC name of 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine (CID 124500369) is 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine.
What is the SMILES notation for 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine?
The canonical SMILES for 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine is CC(C)[C@@H](OCCN)c1ccccc1.
What is the InChIKey of 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine?
The InChIKey is LGIIRRNEAXAGFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)12(14-9-8-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine?
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine is sourced from PubChem (CID 124500369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).