N-[(4-methoxyphenyl)methyl]oxan-3-amine

C13H19NO2 — CID 63360174

IUPACN-[(4-methoxyphenyl)methyl]oxan-3-amine
SMILESCOc1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-13-6-4-11(5-7-13)9-14-12-3-2-8-16-10-12/h4-7,12,14H,2-3,8-10H2,1H3
InChIKeyRLLSWRIHPYMUDW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]oxan-3-amine (PubChem CID 63360174) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]oxan-3-amine
PubChem CID63360174
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(4-methoxyphenyl)methyl]oxan-3-amine
SMILESCOc1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-13-6-4-11(5-7-13)9-14-12-3-2-8-16-10-12/h4-7,12,14H,2-3,8-10H2,1H3
InChIKeyRLLSWRIHPYMUDW-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
N-[(3-methoxy-5-nitrophenyl)methyl]oxan-3-amine
CID 81154406
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124561
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122564765
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]oxan-3-amine (CID 63360174) is N-[(4-methoxyphenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]oxan-3-amine is COc1ccc(CNC2CCCOC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]oxan-3-amine?
The InChIKey is RLLSWRIHPYMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-6-4-11(5-7-13)9-14-12-3-2-8-16-10-12/h4-7,12,14H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]oxan-3-amine?
N-[(4-methoxyphenyl)methyl]oxan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]oxan-3-amine is sourced from PubChem (CID 63360174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).