(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine

C17H21NO — CID 13234523

IUPAC(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
SMILESCOc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(15-9-5-4-6-10-15)18-14(2)16-11-7-8-12-17(16)19-3/h4-14,18H,1-3H3/t13-,14-/m1/s1
InChIKeyOSAOAOVBWHPOPY-ZIAGYGMSSA-N
MW255.36 g/mol
LogP4.11
Rot. Bonds5

About (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine

(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine (PubChem CID 13234523) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
PubChem CID13234523
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
SMILESCOc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(15-9-5-4-6-10-15)18-14(2)16-11-7-8-12-17(16)19-3/h4-14,18H,1-3H3/t13-,14-/m1/s1
InChIKeyOSAOAOVBWHPOPY-ZIAGYGMSSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine (CID 13234523) is (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine is COc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
The InChIKey is OSAOAOVBWHPOPY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(15-9-5-4-6-10-15)18-14(2)16-11-7-8-12-17(16)19-3/h4-14,18H,1-3H3/t13-,14-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 13234523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).