1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine

C20H27NO2 — CID 133207496

IUPAC1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H27NO2/c1-4-13-21-18(5-2)17-11-12-19(20(14-17)22-3)23-15-16-9-7-6-8-10-16/h6-12,14,18,21H,4-5,13,15H2,1-3H3
InChIKeyGJFWFPLBZVIFHT-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.72
Rot. Bonds9

About 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine

1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine (PubChem CID 133207496) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
PubChem CID133207496
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H27NO2/c1-4-13-21-18(5-2)17-11-12-19(20(14-17)22-3)23-15-16-9-7-6-8-10-16/h6-12,14,18,21H,4-5,13,15H2,1-3H3
InChIKeyGJFWFPLBZVIFHT-UHFFFAOYSA-N
XLogP4.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
1-(3-methoxy-4-phenylmethoxyphenyl)prop-2-yn-1-ol
CID 15888378

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine (CID 133207496) is 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is GJFWFPLBZVIFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-13-21-18(5-2)17-11-12-19(20(14-17)22-3)23-15-16-9-7-6-8-10-16/h6-12,14,18,21H,4-5,13,15H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine?
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 133207496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).