(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine

C19H25NO2 — CID 6962702

IUPAC(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccc(CCN[C@@H](C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-15(14-17-6-10-19(22-3)11-7-17)20-13-12-16-4-8-18(21-2)9-5-16/h4-11,15,20H,12-14H2,1-3H3/t15-/m0/s1
InChIKeyCSCVPHQCJHHRLK-HNNXBMFYSA-N
MW299.41 g/mol
LogP3.47
Rot. Bonds8

About (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine

(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 6962702) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
PubChem CID6962702
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccc(CCN[C@@H](C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-15(14-17-6-10-19(22-3)11-7-17)20-13-12-16-4-8-18(21-2)9-5-16/h4-11,15,20H,12-14H2,1-3H3/t15-/m0/s1
InChIKeyCSCVPHQCJHHRLK-HNNXBMFYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 65444462
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 103779248
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
CID 115716045

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine (CID 6962702) is (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine is COc1ccc(CCN[C@@H](C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is CSCVPHQCJHHRLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(14-17-6-10-19(22-3)11-7-17)20-13-12-16-4-8-18(21-2)9-5-16/h4-11,15,20H,12-14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine?
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 299.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 6962702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).