5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine

C18H31NO — CID 63492667

IUPAC5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C18H31NO/c1-6-19-12-8-7-9-13-20-17-14-15(2)10-11-16(17)18(3,4)5/h10-11,14,19H,6-9,12-13H2,1-5H3
InChIKeyFEROGFVWPTTZQC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.45
Rot. Bonds8

About 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine

5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine (PubChem CID 63492667) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
PubChem CID63492667
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C18H31NO/c1-6-19-12-8-7-9-13-20-17-14-15(2)10-11-16(17)18(3,4)5/h10-11,14,19H,6-9,12-13H2,1-5H3
InChIKeyFEROGFVWPTTZQC-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
CID 62450478
3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
N-[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2923884
4-(2-tert-butyl-5-methylphenoxy)butanethioamide
CID 29013024

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine (CID 63492667) is 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine is CCNCCCCCOc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine?
The InChIKey is FEROGFVWPTTZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-12-8-7-9-13-20-17-14-15(2)10-11-16(17)18(3,4)5/h10-11,14,19H,6-9,12-13H2,1-5H3.
What are the key properties of 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine?
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 63492667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).