3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine

C28H35NO3 — CID 2965324

IUPAC3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccc(C(C)NCCC(c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C28H35NO3/c1-20(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-21(3)22-10-14-24(30-4)15-11-22/h6-17,20-21,26,29H,18-19H2,1-5H3
InChIKeyHJQQHUQIDZOELS-UHFFFAOYSA-N
MW433.59 g/mol
LogP6.36
Rot. Bonds11

About 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine

3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 2965324) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID2965324
Molecular FormulaC28H35NO3
Molecular Weight433.59 g/mol
Exact Mass433.26
IUPAC Name3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccc(C(C)NCCC(c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C28H35NO3/c1-20(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-21(3)22-10-14-24(30-4)15-11-22/h6-17,20-21,26,29H,18-19H2,1-5H3
InChIKeyHJQQHUQIDZOELS-UHFFFAOYSA-N
XLogP6.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
CID 41064795
(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714603
N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 4298289
N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828269
N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828267
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine (CID 2965324) is 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine is COc1ccc(C(C)NCCC(c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is HJQQHUQIDZOELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO3/c1-20(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-21(3)22-10-14-24(30-4)15-11-22/h6-17,20-21,26,29H,18-19H2,1-5H3.
What are the key properties of 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 433.59 g/mol, XLogP of 6.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 2965324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).