N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine

C12H19NO — CID 11084731

IUPACN-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine
SMILESCOC[C@H](NC(C)C)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-12(9-14-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-/m0/s1
InChIKeyNXUQITGNVFPMGS-LBPRGKRZSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

About N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine

N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine (PubChem CID 11084731) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine
PubChem CID11084731
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine
SMILESCOC[C@H](NC(C)C)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-12(9-14-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-/m0/s1
InChIKeyNXUQITGNVFPMGS-LBPRGKRZSA-N
XLogP2.37
TPSA21.26 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine (CID 11084731) is N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine is COC[C@H](NC(C)C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine?
The InChIKey is NXUQITGNVFPMGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)13-12(9-14-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine?
N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]propan-2-amine is sourced from PubChem (CID 11084731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).