1-tert-butyl-2-phenylazetidin-3-amine

C13H20N2 — CID 86115793

IUPAC1-tert-butyl-2-phenylazetidin-3-amine
SMILESCC(C)(C)N1CC(N)C1c1ccccc1
InChIInChI=1S/C13H20N2/c1-13(2,3)15-9-11(14)12(15)10-7-5-4-6-8-10/h4-8,11-12H,9,14H2,1-3H3
InChIKeySHCMYJLALYCEBH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.17
Rot. Bonds1

About 1-tert-butyl-2-phenylazetidin-3-amine

1-tert-butyl-2-phenylazetidin-3-amine (PubChem CID 86115793) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-tert-butyl-2-phenylazetidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-2-phenylazetidin-3-amine
PubChem CID86115793
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-tert-butyl-2-phenylazetidin-3-amine
SMILESCC(C)(C)N1CC(N)C1c1ccccc1
InChIInChI=1S/C13H20N2/c1-13(2,3)15-9-11(14)12(15)10-7-5-4-6-8-10/h4-8,11-12H,9,14H2,1-3H3
InChIKeySHCMYJLALYCEBH-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-5-phenylpiperidin-3-amine
CID 67209278
CID 53232340
CID 53232340
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
(5S)-1-tert-butyl-5-phenylpyrrolidin-3-one
CID 69330365
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 120746591
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
2-tert-butyl-3-phenyl-2-azabicyclo[2.2.1]heptane
CID 157105179
1-tert-butyl-2-(2-phenylethyl)aziridine
CID 155929239
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-phenylazetidin-3-amine?
The IUPAC name of 1-tert-butyl-2-phenylazetidin-3-amine (CID 86115793) is 1-tert-butyl-2-phenylazetidin-3-amine.
What is the SMILES notation for 1-tert-butyl-2-phenylazetidin-3-amine?
The canonical SMILES for 1-tert-butyl-2-phenylazetidin-3-amine is CC(C)(C)N1CC(N)C1c1ccccc1.
What is the InChIKey of 1-tert-butyl-2-phenylazetidin-3-amine?
The InChIKey is SHCMYJLALYCEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)15-9-11(14)12(15)10-7-5-4-6-8-10/h4-8,11-12H,9,14H2,1-3H3.
What are the key properties of 1-tert-butyl-2-phenylazetidin-3-amine?
1-tert-butyl-2-phenylazetidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-phenylazetidin-3-amine is sourced from PubChem (CID 86115793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).