2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine

C19H31NO — CID 79576149

IUPAC2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C19H31NO/c1-14-9-10-18(16(13-14)19(2,3)4)21-12-11-15-7-6-8-17(15)20-5/h9-10,13,15,17,20H,6-8,11-12H2,1-5H3
InChIKeyUBRAMKLJQYPFTE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.45
Rot. Bonds5

About 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine

2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine (PubChem CID 79576149) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine
PubChem CID79576149
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1CCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C19H31NO/c1-14-9-10-18(16(13-14)19(2,3)4)21-12-11-15-7-6-8-17(15)20-5/h9-10,13,15,17,20H,6-8,11-12H2,1-5H3
InChIKeyUBRAMKLJQYPFTE-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572787
2-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentan-1-amine
CID 79573008
N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572317
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
CID 63656034
3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 55063375
2-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine
CID 66357148
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine (CID 79576149) is 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine is CNC1CCCC1CCOc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine?
The InChIKey is UBRAMKLJQYPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-9-10-18(16(13-14)19(2,3)4)21-12-11-15-7-6-8-17(15)20-5/h9-10,13,15,17,20H,6-8,11-12H2,1-5H3.
What are the key properties of 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine?
2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79576149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).