3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine

C17H29NO2 — CID 2300142

IUPAC3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-14-7-8-15(17(2,3)4)16(13-14)20-11-6-9-18-10-12-19-5/h7-8,13,18H,6,9-12H2,1-5H3
InChIKeyZDLBVGLILMBRMO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.30
Rot. Bonds8

About 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine

3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 2300142) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID2300142
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-14-7-8-15(17(2,3)4)16(13-14)20-11-6-9-18-10-12-19-5/h7-8,13,18H,6,9-12H2,1-5H3
InChIKeyZDLBVGLILMBRMO-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2923884
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
CID 63492667
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
3-(2-tert-butyl-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2299839
3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865464
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 2300142) is 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCOc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is ZDLBVGLILMBRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14-7-8-15(17(2,3)4)16(13-14)20-11-6-9-18-10-12-19-5/h7-8,13,18H,6,9-12H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 2300142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).