(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine

C20H27NO2 — CID 102356404

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
SMILESCC[C@H](N[C@@H](CC)c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C20H27NO2/c1-5-17(15-11-7-9-13-19(15)22-3)21-18(6-2)16-12-8-10-14-20(16)23-4/h7-14,17-18,21H,5-6H2,1-4H3/t17-,18-/m0/s1
InChIKeyKYGXDUNGEZTLGK-ROUUACIJSA-N
MW313.44 g/mol
LogP4.90
Rot. Bonds8

About (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine (PubChem CID 102356404) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
PubChem CID102356404
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
SMILESCC[C@H](N[C@@H](CC)c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C20H27NO2/c1-5-17(15-11-7-9-13-19(15)22-3)21-18(6-2)16-12-8-10-14-20(16)23-4/h7-14,17-18,21H,5-6H2,1-4H3/t17-,18-/m0/s1
InChIKeyKYGXDUNGEZTLGK-ROUUACIJSA-N
XLogP4.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
CID 64918822
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944788
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81387812
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine (CID 102356404) is (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine is CC[C@H](N[C@@H](CC)c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine?
The InChIKey is KYGXDUNGEZTLGK-ROUUACIJSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-17(15-11-7-9-13-19(15)22-3)21-18(6-2)16-12-8-10-14-20(16)23-4/h7-14,17-18,21H,5-6H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine?
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine is sourced from PubChem (CID 102356404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).