[4-(3-methoxyphenyl)oxan-4-yl]methanamine

C13H19NO2 — CID 61264029

IUPAC[4-(3-methoxyphenyl)oxan-4-yl]methanamine
SMILESCOc1cccc(C2(CN)CCOCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-4-2-3-11(9-12)13(10-14)5-7-16-8-6-13/h2-4,9H,5-8,10,14H2,1H3
InChIKeyVCRKYGDZXSUHJM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds3

About [4-(3-methoxyphenyl)oxan-4-yl]methanamine

[4-(3-methoxyphenyl)oxan-4-yl]methanamine (PubChem CID 61264029) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)oxan-4-yl]methanamine
PubChem CID61264029
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(3-methoxyphenyl)oxan-4-yl]methanamine
SMILESCOc1cccc(C2(CN)CCOCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-4-2-3-11(9-12)13(10-14)5-7-16-8-6-13/h2-4,9H,5-8,10,14H2,1H3
InChIKeyVCRKYGDZXSUHJM-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
2-amino-3-[4-(3-methoxyphenyl)oxan-4-yl]propan-1-ol;hydrochloride
CID 170893568
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46988116
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3-methoxyphenyl)oxan-4-yl]methanamine (CID 61264029) is [4-(3-methoxyphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3-methoxyphenyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3-methoxyphenyl)oxan-4-yl]methanamine is COc1cccc(C2(CN)CCOCC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)oxan-4-yl]methanamine?
The InChIKey is VCRKYGDZXSUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-4-2-3-11(9-12)13(10-14)5-7-16-8-6-13/h2-4,9H,5-8,10,14H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)oxan-4-yl]methanamine?
[4-(3-methoxyphenyl)oxan-4-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 61264029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).