ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine

C15H27NO2 — CID 54508281

IUPACethane;methyl acetate;2-methyl-1-phenylpropan-2-amine
SMILESCC.CC(C)(N)Cc1ccccc1.COC(C)=O
InChIInChI=1S/C10H15N.C3H6O2.C2H6/c1-10(2,11)8-9-6-4-3-5-7-9;1-3(4)5-2;1-2/h3-7H,8,11H2,1-2H3;1-2H3;1-2H3
InChIKeyYHGSZUGPJPJRMM-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds2

About ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine

ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine (PubChem CID 54508281) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Nameethane;methyl acetate;2-methyl-1-phenylpropan-2-amine
PubChem CID54508281
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethane;methyl acetate;2-methyl-1-phenylpropan-2-amine
SMILESCC.CC(C)(N)Cc1ccccc1.COC(C)=O
InChIInChI=1S/C10H15N.C3H6O2.C2H6/c1-10(2,11)8-9-6-4-3-5-7-9;1-3(4)5-2;1-2/h3-7H,8,11H2,1-2H3;1-2H3;1-2H3
InChIKeyYHGSZUGPJPJRMM-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483746
Methyl 2-amino-2-methyl-3-phenylpropanoate
CID 568302
Carbamic acid, N-(1,1-dimethyl-2-phenylethyl)-, 1,1-dimethylethyl ester
CID 59685082
Acetic acid--2-phenylethan-1-amine (1/1)
CID 71356629
Phentermine(1+)
CID 23290315
Alpha-Me-L-Phe-OMe
CID 736309
3-Benzylpentan-3-amine
CID 18506351
Methyl 2-amino-2-benzylpentanoate
CID 19793516
methyl (2S)-2-amino-2-benzylpentanoate
CID 54262392
1,2-Dimethyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483696
1-Methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483891
(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483892

Frequently Asked Questions

What is the IUPAC name of ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine?
The IUPAC name of ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine (CID 54508281) is ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine?
The canonical SMILES for ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine is CC.CC(C)(N)Cc1ccccc1.COC(C)=O.
What is the InChIKey of ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine?
The InChIKey is YHGSZUGPJPJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H6O2.C2H6/c1-10(2,11)8-9-6-4-3-5-7-9;1-3(4)5-2;1-2/h3-7H,8,11H2,1-2H3;1-2H3;1-2H3.
What are the key properties of ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine?
ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 54508281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).