[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine

C19H31NO — CID 43294228

IUPAC[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1OC1CCCCCC1CN
InChIInChI=1S/C19H31NO/c1-14-12-16(19(2,3)4)10-11-17(14)21-18-9-7-5-6-8-15(18)13-20/h10-12,15,18H,5-9,13,20H2,1-4H3
InChIKeyUBRJLJUVCMUQQQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds3

About [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine

[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine (PubChem CID 43294228) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
PubChem CID43294228
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1OC1CCCCCC1CN
InChIInChI=1S/C19H31NO/c1-14-12-16(19(2,3)4)10-11-17(14)21-18-9-7-5-6-8-15(18)13-20/h10-12,15,18H,5-9,13,20H2,1-4H3
InChIKeyUBRJLJUVCMUQQQ-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
CID 43294102
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
CID 63499440
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
CID 43531164
[2-(2-propoxyphenoxy)cycloheptyl]methanamine
CID 43294055
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
CID 117095540
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine?
The IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine (CID 43294228) is [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine.
What is the SMILES notation for [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine?
The canonical SMILES for [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine is Cc1cc(C(C)(C)C)ccc1OC1CCCCCC1CN.
What is the InChIKey of [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine?
The InChIKey is UBRJLJUVCMUQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-12-16(19(2,3)4)10-11-17(14)21-18-9-7-5-6-8-15(18)13-20/h10-12,15,18H,5-9,13,20H2,1-4H3.
What are the key properties of [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine?
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine is sourced from PubChem (CID 43294228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).