1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine

C24H33NO3 — CID 135133929

IUPAC1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine
SMILESCOc1ccc(CNCC2(CC(C)OCc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C24H33NO3/c1-20(28-18-22-6-4-3-5-7-22)16-24(12-14-27-15-13-24)19-25-17-21-8-10-23(26-2)11-9-21/h3-11,20,25H,12-19H2,1-2H3
InChIKeyUFOCVYNNGLONPX-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.58
Rot. Bonds10

About 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine

1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine (PubChem CID 135133929) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine
PubChem CID135133929
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine
SMILESCOc1ccc(CNCC2(CC(C)OCc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C24H33NO3/c1-20(28-18-22-6-4-3-5-7-22)16-24(12-14-27-15-13-24)19-25-17-21-8-10-23(26-2)11-9-21/h3-11,20,25H,12-19H2,1-2H3
InChIKeyUFOCVYNNGLONPX-UHFFFAOYSA-N
XLogP4.58
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
4-(iodomethyl)-4-[(4-methoxyphenyl)methoxy]oxane
CID 114773658
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
4-(4-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 103903361
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
CID 135020165

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine (CID 135133929) is 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine is COc1ccc(CNCC2(CC(C)OCc3ccccc3)CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine?
The InChIKey is UFOCVYNNGLONPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-20(28-18-22-6-4-3-5-7-22)16-24(12-14-27-15-13-24)19-25-17-21-8-10-23(26-2)11-9-21/h3-11,20,25H,12-19H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine?
1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine has a molecular weight of 383.53 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[4-(2-phenylmethoxypropyl)oxan-4-yl]methyl]methanamine is sourced from PubChem (CID 135133929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).