azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine

C14H22N2 — CID 116935353

IUPACazetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
SMILESCc1ccc(C(C)C)cc1C(N)C1CNC1
InChIInChI=1S/C14H22N2/c1-9(2)11-5-4-10(3)13(6-11)14(15)12-7-16-8-12/h4-6,9,12,14,16H,7-8,15H2,1-3H3
InChIKeyQQRZQRPWMGKXBI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds3

About azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine

azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine (PubChem CID 116935353) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
PubChem CID116935353
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nameazetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
SMILESCc1ccc(C(C)C)cc1C(N)C1CNC1
InChIInChI=1S/C14H22N2/c1-9(2)11-5-4-10(3)13(6-11)14(15)12-7-16-8-12/h4-6,9,12,14,16H,7-8,15H2,1-3H3
InChIKeyQQRZQRPWMGKXBI-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)-1-morpholin-2-ylmethanamine
CID 116956461

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine (CID 116935353) is azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine is Cc1ccc(C(C)C)cc1C(N)C1CNC1.
What is the InChIKey of azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine?
The InChIKey is QQRZQRPWMGKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9(2)11-5-4-10(3)13(6-11)14(15)12-7-16-8-12/h4-6,9,12,14,16H,7-8,15H2,1-3H3.
What are the key properties of azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine?
azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116935353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).