[2-(3-tert-butylphenoxy)cyclopentyl]methanamine

C16H25NO — CID 43294221

IUPAC[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
SMILESCC(C)(C)c1cccc(OC2CCCC2CN)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)13-7-5-8-14(10-13)18-15-9-4-6-12(15)11-17/h5,7-8,10,12,15H,4,6,9,11,17H2,1-3H3
InChIKeyJLAOAQHDNFXGTR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds3

About [2-(3-tert-butylphenoxy)cyclopentyl]methanamine

[2-(3-tert-butylphenoxy)cyclopentyl]methanamine (PubChem CID 43294221) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2-(3-tert-butylphenoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
PubChem CID43294221
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
SMILESCC(C)(C)c1cccc(OC2CCCC2CN)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)13-7-5-8-14(10-13)18-15-9-4-6-12(15)11-17/h5,7-8,10,12,15H,4,6,9,11,17H2,1-3H3
InChIKeyJLAOAQHDNFXGTR-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
[3-[2-(aminomethyl)cyclohexyl]oxyphenyl]methanol
CID 115002126
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
methyl 3-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053616
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentyl]methanamine
CID 82239829
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
6-(3-tert-butylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79835479
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylphenoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(3-tert-butylphenoxy)cyclopentyl]methanamine (CID 43294221) is [2-(3-tert-butylphenoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(3-tert-butylphenoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(3-tert-butylphenoxy)cyclopentyl]methanamine is CC(C)(C)c1cccc(OC2CCCC2CN)c1.
What is the InChIKey of [2-(3-tert-butylphenoxy)cyclopentyl]methanamine?
The InChIKey is JLAOAQHDNFXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)13-7-5-8-14(10-13)18-15-9-4-6-12(15)11-17/h5,7-8,10,12,15H,4,6,9,11,17H2,1-3H3.
What are the key properties of [2-(3-tert-butylphenoxy)cyclopentyl]methanamine?
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylphenoxy)cyclopentyl]methanamine is sourced from PubChem (CID 43294221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).