2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine

C19H31NO — CID 104748287

IUPAC2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
SMILESCCc1ccc(OCC(N)C2CCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-5-14-10-11-18(16(12-14)19(2,3)4)21-13-17(20)15-8-6-7-9-15/h10-12,15,17H,5-9,13,20H2,1-4H3
InChIKeySRXOTLZWQJTKRO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.44
Rot. Bonds5

About 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine

2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine (PubChem CID 104748287) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
PubChem CID104748287
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
SMILESCCc1ccc(OCC(N)C2CCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-5-14-10-11-18(16(12-14)19(2,3)4)21-13-17(20)15-8-6-7-9-15/h10-12,15,17H,5-9,13,20H2,1-4H3
InChIKeySRXOTLZWQJTKRO-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
CID 63907312
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138
(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 2304367

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine?
The IUPAC name of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine (CID 104748287) is 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine?
The canonical SMILES for 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine is CCc1ccc(OCC(N)C2CCCC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine?
The InChIKey is SRXOTLZWQJTKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-14-10-11-18(16(12-14)19(2,3)4)21-13-17(20)15-8-6-7-9-15/h10-12,15,17H,5-9,13,20H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine?
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine is sourced from PubChem (CID 104748287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).