2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine

C12H18N2 — CID 115018339

IUPAC2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine
SMILESCc1ccc(N2CCC2CCN)cc1
InChIInChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)14-9-7-12(14)6-8-13/h2-5,12H,6-9,13H2,1H3
InChIKeyFKBPCUZXRGBVKQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.92
Rot. Bonds3

About 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine

2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine (PubChem CID 115018339) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine
PubChem CID115018339
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine
SMILESCc1ccc(N2CCC2CCN)cc1
InChIInChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)14-9-7-12(14)6-8-13/h2-5,12H,6-9,13H2,1H3
InChIKeyFKBPCUZXRGBVKQ-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
CID 96618274
[1-(4-chlorophenyl)azetidin-2-yl]methanamine
CID 115020899
2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine
CID 117028629
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine
CID 21231913
[1-(4-bromophenyl)azetidin-2-yl]methanol
CID 170627419
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 105454790
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
2-[1-(3-methyl-5-nitrophenyl)piperidin-2-yl]ethanamine
CID 112649492
[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117021973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine (CID 115018339) is 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine is Cc1ccc(N2CCC2CCN)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine?
The InChIKey is FKBPCUZXRGBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)14-9-7-12(14)6-8-13/h2-5,12H,6-9,13H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine?
2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine is sourced from PubChem (CID 115018339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).