N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine

C12H18N2O — CID 66244684

IUPACN-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
SMILESCOc1ccc(C(C)NC2CNC2)cc1
InChIInChI=1S/C12H18N2O/c1-9(14-11-7-13-8-11)10-3-5-12(15-2)6-4-10/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyVGVZSQPPWOMPTQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine

N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine (PubChem CID 66244684) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
PubChem CID66244684
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
SMILESCOc1ccc(C(C)NC2CNC2)cc1
InChIInChI=1S/C12H18N2O/c1-9(14-11-7-13-8-11)10-3-5-12(15-2)6-4-10/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyVGVZSQPPWOMPTQ-UHFFFAOYSA-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-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
CID 68593383
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine (CID 66244684) is N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine is COc1ccc(C(C)NC2CNC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine?
The InChIKey is VGVZSQPPWOMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(14-11-7-13-8-11)10-3-5-12(15-2)6-4-10/h3-6,9,11,13-14H,7-8H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine?
N-[1-(4-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-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 66244684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).