N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine

C14H21NO3 — CID 63360173

IUPACN-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
SMILESCOc1ccc(CNC2CCCOC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-16-13-6-5-11(8-14(13)17-2)9-15-12-4-3-7-18-10-12/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyWQUPYQKXZVEHOB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine (PubChem CID 63360173) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
PubChem CID63360173
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
SMILESCOc1ccc(CNC2CCCOC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-16-13-6-5-11(8-14(13)17-2)9-15-12-4-3-7-18-10-12/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyWQUPYQKXZVEHOB-UHFFFAOYSA-N
XLogP1.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124561
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124540
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
CID 63359991
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine (CID 63360173) is N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine is COc1ccc(CNC2CCCOC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine?
The InChIKey is WQUPYQKXZVEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-13-6-5-11(8-14(13)17-2)9-15-12-4-3-7-18-10-12/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine?
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine has a molecular weight of 251.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine is sourced from PubChem (CID 63360173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).