N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine

C15H23NO2 — CID 81398024

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
SMILESCOc1ccccc1[C@@H](C)NC1CCOC(C)C1
InChIInChI=1S/C15H23NO2/c1-11-10-13(8-9-18-11)16-12(2)14-6-4-5-7-15(14)17-3/h4-7,11-13,16H,8-10H2,1-3H3/t11?,12-,13?/m1/s1
InChIKeyMABCNISUOHNVAH-OTTFEQOBSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine (PubChem CID 81398024) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
PubChem CID81398024
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
SMILESCOc1ccccc1[C@@H](C)NC1CCOC(C)C1
InChIInChI=1S/C15H23NO2/c1-11-10-13(8-9-18-11)16-12(2)14-6-4-5-7-15(14)17-3/h4-7,11-13,16H,8-10H2,1-3H3/t11?,12-,13?/m1/s1
InChIKeyMABCNISUOHNVAH-OTTFEQOBSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
CID 98856115
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
CID 81397734
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
CID 103907210
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine (CID 81398024) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine is COc1ccccc1[C@@H](C)NC1CCOC(C)C1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
The InChIKey is MABCNISUOHNVAH-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-10-13(8-9-18-11)16-12(2)14-6-4-5-7-15(14)17-3/h4-7,11-13,16H,8-10H2,1-3H3/t11?,12-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine is sourced from PubChem (CID 81398024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).