(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine

C17H27NO — CID 82302431

IUPAC(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCC2)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-11-9-15(19-5)14(17(2,3)4)10-13(11)16(18)12-7-6-8-12/h9-10,12,16H,6-8,18H2,1-5H3
InChIKeyFECARQPAYVPQKQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds3

About (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine

(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine (PubChem CID 82302431) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
PubChem CID82302431
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCC2)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-11-9-15(19-5)14(17(2,3)4)10-13(11)16(18)12-7-6-8-12/h9-10,12,16H,6-8,18H2,1-5H3
InChIKeyFECARQPAYVPQKQ-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine 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

(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
CID 82296043
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
CID 82289393
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
CID 82496678
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
The IUPAC name of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine (CID 82302431) is (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine is COc1cc(C)c(C(N)C2CCC2)cc1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
The InChIKey is FECARQPAYVPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-9-15(19-5)14(17(2,3)4)10-13(11)16(18)12-7-6-8-12/h9-10,12,16H,6-8,18H2,1-5H3.
What are the key properties of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 82302431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).