3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine

C14H21N — CID 116962785

IUPAC3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C(C)C)cc1C1CC(N)C1
InChIInChI=1S/C14H21N/c1-9(2)11-5-4-10(3)14(8-11)12-6-13(15)7-12/h4-5,8-9,12-13H,6-7,15H2,1-3H3
InChIKeyBOIJGVCRDPRTBG-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.32
Rot. Bonds2

About 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine

3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine (PubChem CID 116962785) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
PubChem CID116962785
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C(C)C)cc1C1CC(N)C1
InChIInChI=1S/C14H21N/c1-9(2)11-5-4-10(3)14(8-11)12-6-13(15)7-12/h4-5,8-9,12-13H,6-7,15H2,1-3H3
InChIKeyBOIJGVCRDPRTBG-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
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CID 117368988
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735
2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane
CID 116864074
4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine
CID 115149697
1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 116842037
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 176665910
2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidine
CID 82472471
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
2,2-diethyl-3-(2-methyl-5-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66351324
(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
CID 96844502

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine (CID 116962785) is 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine is Cc1ccc(C(C)C)cc1C1CC(N)C1.
What is the InChIKey of 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine?
The InChIKey is BOIJGVCRDPRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-9(2)11-5-4-10(3)14(8-11)12-6-13(15)7-12/h4-5,8-9,12-13H,6-7,15H2,1-3H3.
What are the key properties of 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine?
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 116962785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).