N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine

C12H18N2O — CID 81397207

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
SMILESCOc1ccccc1[C@H](C)NC1CNC1
InChIInChI=1S/C12H18N2O/c1-9(14-10-7-13-8-10)11-5-3-4-6-12(11)15-2/h3-6,9-10,13-14H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOIWWJLUENWIOGS-VIFPVBQESA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine (PubChem CID 81397207) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
PubChem CID81397207
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
SMILESCOc1ccccc1[C@H](C)NC1CNC1
InChIInChI=1S/C12H18N2O/c1-9(14-10-7-13-8-10)11-5-3-4-6-12(11)15-2/h3-6,9-10,13-14H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOIWWJLUENWIOGS-VIFPVBQESA-N
XLogP1.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
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
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine (CID 81397207) is N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine is COc1ccccc1[C@H](C)NC1CNC1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine?
The InChIKey is OIWWJLUENWIOGS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(14-10-7-13-8-10)11-5-3-4-6-12(11)15-2/h3-6,9-10,13-14H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 81397207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).