2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine

C19H31NO — CID 63499440

IUPAC2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C19H31NO/c1-6-12-20-16-8-7-9-18(16)21-17-11-10-15(13-14(17)2)19(3,4)5/h10-11,13,16,18,20H,6-9,12H2,1-5H3
InChIKeyYSRWKQASAQSBSR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine

2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine (PubChem CID 63499440) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
PubChem CID63499440
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C19H31NO/c1-6-12-20-16-8-7-9-18(16)21-17-11-10-15(13-14(17)2)19(3,4)5/h10-11,13,16,18,20H,6-9,12H2,1-5H3
InChIKeyYSRWKQASAQSBSR-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
CID 107657388
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
CID 63501080
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol
CID 67808829
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
CID 55036153
2-[(4-chlorophenyl)methoxy]-N-propylcyclopentan-1-amine
CID 65124598

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine (CID 63499440) is 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine is CCCNC1CCCC1Oc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine?
The InChIKey is YSRWKQASAQSBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-12-20-16-8-7-9-18(16)21-17-11-10-15(13-14(17)2)19(3,4)5/h10-11,13,16,18,20H,6-9,12H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine?
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.59, 5 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)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 63499440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).