N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine

C14H21NO2 — CID 81397556

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1ccccc1[C@@H](C)NC1CCCOC1
InChIInChI=1S/C14H21NO2/c1-11(15-12-6-5-9-17-10-12)13-7-3-4-8-14(13)16-2/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyBBPPYHKBPFJJGD-JHJMLUEUSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

About N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine

N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine (PubChem CID 81397556) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
PubChem CID81397556
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1ccccc1[C@@H](C)NC1CCCOC1
InChIInChI=1S/C14H21NO2/c1-11(15-12-6-5-9-17-10-12)13-7-3-4-8-14(13)16-2/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyBBPPYHKBPFJJGD-JHJMLUEUSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[1-(2-methoxyphenyl)propyl]oxan-3-amine
CID 63359926
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine (CID 81397556) is N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine is COc1ccccc1[C@@H](C)NC1CCCOC1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine?
The InChIKey is BBPPYHKBPFJJGD-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-12-6-5-9-17-10-12)13-7-3-4-8-14(13)16-2/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine?
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 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]oxan-3-amine is sourced from PubChem (CID 81397556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).