N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine

C14H21NO2 — CID 81397820

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
SMILESCOc1ccccc1[C@H](C)NC1CCOCC1
InChIInChI=1S/C14H21NO2/c1-11(15-12-7-9-17-10-8-12)13-5-3-4-6-14(13)16-2/h3-6,11-12,15H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyYIHSJPGWVZDKKH-NSHDSACASA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine (PubChem CID 81397820) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
PubChem CID81397820
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
SMILESCOc1ccccc1[C@H](C)NC1CCOCC1
InChIInChI=1S/C14H21NO2/c1-11(15-12-7-9-17-10-8-12)13-5-3-4-6-14(13)16-2/h3-6,11-12,15H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyYIHSJPGWVZDKKH-NSHDSACASA-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-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
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-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
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
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
CID 81397734

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine (CID 81397820) is N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine is COc1ccccc1[C@H](C)NC1CCOCC1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine?
The InChIKey is YIHSJPGWVZDKKH-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-12-7-9-17-10-8-12)13-5-3-4-6-14(13)16-2/h3-6,11-12,15H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-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-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 81397820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).