N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine

C20H25NO3 — CID 119124561

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
SMILESCOc1cc(CNC2CCCOC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-22-20-12-17(13-21-18-8-5-11-23-15-18)9-10-19(20)24-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3
InChIKeyIZUVGFHGKZNUNT-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.54
Rot. Bonds7

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine (PubChem CID 119124561) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
PubChem CID119124561
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
SMILESCOc1cc(CNC2CCCOC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-22-20-12-17(13-21-18-8-5-11-23-15-18)9-10-19(20)24-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3
InChIKeyIZUVGFHGKZNUNT-UHFFFAOYSA-N
XLogP3.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124540
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine (CID 119124561) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine is COc1cc(CNC2CCCOC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine?
The InChIKey is IZUVGFHGKZNUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-22-20-12-17(13-21-18-8-5-11-23-15-18)9-10-19(20)24-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine has a molecular weight of 327.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine is sourced from PubChem (CID 119124561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).