(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine

C23H25NO — CID 51993062

IUPAC(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1cccc(COc2cccc(CN[C@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C23H25NO/c1-18-8-6-10-21(14-18)17-25-23-13-7-9-20(15-23)16-24-19(2)22-11-4-3-5-12-22/h3-15,19,24H,16-17H2,1-2H3/t19-/m1/s1
InChIKeyYSTVWTDBKGGESU-LJQANCHMSA-N
MW331.46 g/mol
LogP5.42
Rot. Bonds7

About (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine

(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 51993062) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID51993062
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESCc1cccc(COc2cccc(CN[C@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C23H25NO/c1-18-8-6-10-21(14-18)17-25-23-13-7-9-20(15-23)16-24-19(2)22-11-4-3-5-12-22/h3-15,19,24H,16-17H2,1-2H3/t19-/m1/s1
InChIKeyYSTVWTDBKGGESU-LJQANCHMSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
2-[3-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81369031
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
(1S)-N-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51994223
(1R)-N-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51994225
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 51993062) is (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is Cc1cccc(COc2cccc(CN[C@H](C)c3ccccc3)c2)c1.
What is the InChIKey of (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is YSTVWTDBKGGESU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25NO/c1-18-8-6-10-21(14-18)17-25-23-13-7-9-20(15-23)16-24-19(2)22-11-4-3-5-12-22/h3-15,19,24H,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine has a molecular weight of 331.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 51993062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).