N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine

C12H17NO2 — CID 81375713

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
SMILESCOc1cccc([C@@H](C)NC2COC2)c1
InChIInChI=1S/C12H17NO2/c1-9(13-11-7-15-8-11)10-4-3-5-12(6-10)14-2/h3-6,9,11,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySQKIWBVHFVALNN-SECBINFHSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds4

About N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine

N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine (PubChem CID 81375713) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
PubChem CID81375713
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
SMILESCOc1cccc([C@@H](C)NC2COC2)c1
InChIInChI=1S/C12H17NO2/c1-9(13-11-7-15-8-11)10-4-3-5-12(6-10)14-2/h3-6,9,11,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySQKIWBVHFVALNN-SECBINFHSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
CID 81375811
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81375776
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine (CID 81375713) is N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine is COc1cccc([C@@H](C)NC2COC2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine?
The InChIKey is SQKIWBVHFVALNN-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13-11-7-15-8-11)10-4-3-5-12(6-10)14-2/h3-6,9,11,13H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine?
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine has a molecular weight of 207.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine is sourced from PubChem (CID 81375713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).