N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine

C17H27NO — CID 96678019

IUPACN-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
SMILESCOc1c(CNC2CCC2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12-9-13(11-18-14-7-6-8-14)16(19-5)15(10-12)17(2,3)4/h9-10,14,18H,6-8,11H2,1-5H3
InChIKeyUBWIOLQZQFYLQX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds4

About N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine

N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine (PubChem CID 96678019) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
PubChem CID96678019
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
SMILESCOc1c(CNC2CCC2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12-9-13(11-18-14-7-6-8-14)16(19-5)15(10-12)17(2,3)4/h9-10,14,18H,6-8,11H2,1-5H3
InChIKeyUBWIOLQZQFYLQX-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
CID 97179137
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
CID 57308752

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine (CID 96678019) is N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine is COc1c(CNC2CCC2)cc(C)cc1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine?
The InChIKey is UBWIOLQZQFYLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-13(11-18-14-7-6-8-14)16(19-5)15(10-12)17(2,3)4/h9-10,14,18H,6-8,11H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine?
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 96678019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).