(2-methoxyphenyl)-(oxan-3-yl)methanamine

C13H19NO2 — CID 65331854

IUPAC(2-methoxyphenyl)-(oxan-3-yl)methanamine
SMILESCOc1ccccc1C(N)C1CCCOC1
InChIInChI=1S/C13H19NO2/c1-15-12-7-3-2-6-11(12)13(14)10-5-4-8-16-9-10/h2-3,6-7,10,13H,4-5,8-9,14H2,1H3
InChIKeyRYVKMRKYAXMVDX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds3

About (2-methoxyphenyl)-(oxan-3-yl)methanamine

(2-methoxyphenyl)-(oxan-3-yl)methanamine (PubChem CID 65331854) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-(oxan-3-yl)methanamine
PubChem CID65331854
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-methoxyphenyl)-(oxan-3-yl)methanamine
SMILESCOc1ccccc1C(N)C1CCCOC1
InChIInChI=1S/C13H19NO2/c1-15-12-7-3-2-6-11(12)13(14)10-5-4-8-16-9-10/h2-3,6-7,10,13H,4-5,8-9,14H2,1H3
InChIKeyRYVKMRKYAXMVDX-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(3-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107139205
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)propyl]oxan-3-amine
CID 63359926
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(oxan-3-yl)methanamine?
The IUPAC name of (2-methoxyphenyl)-(oxan-3-yl)methanamine (CID 65331854) is (2-methoxyphenyl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (2-methoxyphenyl)-(oxan-3-yl)methanamine?
The canonical SMILES for (2-methoxyphenyl)-(oxan-3-yl)methanamine is COc1ccccc1C(N)C1CCCOC1.
What is the InChIKey of (2-methoxyphenyl)-(oxan-3-yl)methanamine?
The InChIKey is RYVKMRKYAXMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-7-3-2-6-11(12)13(14)10-5-4-8-16-9-10/h2-3,6-7,10,13H,4-5,8-9,14H2,1H3.
What are the key properties of (2-methoxyphenyl)-(oxan-3-yl)methanamine?
(2-methoxyphenyl)-(oxan-3-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 65331854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).