(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine

C16H25N — CID 82289393

IUPAC(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
SMILESCc1ccc(C(C)(C)C)cc1C(N)C1CCC1
InChIInChI=1S/C16H25N/c1-11-8-9-13(16(2,3)4)10-14(11)15(17)12-6-5-7-12/h8-10,12,15H,5-7,17H2,1-4H3
InChIKeyOFOJNGUHXJZHSA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.09
Rot. Bonds2

About (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine

(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine (PubChem CID 82289393) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
PubChem CID82289393
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
SMILESCc1ccc(C(C)(C)C)cc1C(N)C1CCC1
InChIInChI=1S/C16H25N/c1-11-8-9-13(16(2,3)4)10-14(11)15(17)12-6-5-7-12/h8-10,12,15H,5-7,17H2,1-4H3
InChIKeyOFOJNGUHXJZHSA-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
CID 116937320
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82302431
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine?
The IUPAC name of (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine (CID 82289393) is (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine is Cc1ccc(C(C)(C)C)cc1C(N)C1CCC1.
What is the InChIKey of (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine?
The InChIKey is OFOJNGUHXJZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-8-9-13(16(2,3)4)10-14(11)15(17)12-6-5-7-12/h8-10,12,15H,5-7,17H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine?
(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 82289393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).