(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine

C13H19NO2 — CID 131274584

IUPAC(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
SMILESCOc1ccccc1[C@@H](N)C1CCOCC1
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(14)10-6-8-16-9-7-10/h2-5,10,13H,6-9,14H2,1H3/t13-/m0/s1
InChIKeySMSKEJJCIJAYPN-ZDUSSCGKSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds3

About (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine

(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine (PubChem CID 131274584) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
PubChem CID131274584
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
SMILESCOc1ccccc1[C@@H](N)C1CCOCC1
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(14)10-6-8-16-9-7-10/h2-5,10,13H,6-9,14H2,1H3/t13-/m0/s1
InChIKeySMSKEJJCIJAYPN-ZDUSSCGKSA-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

(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642

Frequently Asked Questions

What is the IUPAC name of (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine (CID 131274584) is (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine is COc1ccccc1[C@@H](N)C1CCOCC1.
What is the InChIKey of (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine?
The InChIKey is SMSKEJJCIJAYPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(14)10-6-8-16-9-7-10/h2-5,10,13H,6-9,14H2,1H3/t13-/m0/s1.
What are the key properties of (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine?
(S)-(2-methoxyphenyl)-(oxan-4-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 (S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131274584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).