2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine

C17H21NO — CID 95226468

IUPAC2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine
SMILESCO[C@@H](C)c1cccc(-c2ccccc2CCN)c1
InChIInChI=1S/C17H21NO/c1-13(19-2)15-7-5-8-16(12-15)17-9-4-3-6-14(17)10-11-18/h3-9,12-13H,10-11,18H2,1-2H3/t13-/m0/s1
InChIKeyCREAYZSIKKLJCH-ZDUSSCGKSA-N
MW255.36 g/mol
LogP3.56
Rot. Bonds5

About 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine

2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine (PubChem CID 95226468) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine
PubChem CID95226468
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine
SMILESCO[C@@H](C)c1cccc(-c2ccccc2CCN)c1
InChIInChI=1S/C17H21NO/c1-13(19-2)15-7-5-8-16(12-15)17-9-4-3-6-14(17)10-11-18/h3-9,12-13H,10-11,18H2,1-2H3/t13-/m0/s1
InChIKeyCREAYZSIKKLJCH-ZDUSSCGKSA-N
XLogP3.56
TPSA35.25 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine (CID 95226468) is 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine is CO[C@@H](C)c1cccc(-c2ccccc2CCN)c1.
What is the InChIKey of 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine?
The InChIKey is CREAYZSIKKLJCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(19-2)15-7-5-8-16(12-15)17-9-4-3-6-14(17)10-11-18/h3-9,12-13H,10-11,18H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine?
2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine is sourced from PubChem (CID 95226468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).