5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine

C18H31NO2 — CID 65256212

IUPAC5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
SMILESCOc1ccc(OCCCC(C)(C)CN)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-17(2,3)15-12-14(20-6)8-9-16(15)21-11-7-10-18(4,5)13-19/h8-9,12H,7,10-11,13,19H2,1-6H3
InChIKeyJWIQRPGMJSWLSY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.14
Rot. Bonds7

About 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine

5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine (PubChem CID 65256212) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
PubChem CID65256212
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
SMILESCOc1ccc(OCCCC(C)(C)CN)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-17(2,3)15-12-14(20-6)8-9-16(15)21-11-7-10-18(4,5)13-19/h8-9,12H,7,10-11,13,19H2,1-6H3
InChIKeyJWIQRPGMJSWLSY-UHFFFAOYSA-N
XLogP4.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.14
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

1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257858
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-1-ol
CID 64805134
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
3-[2-tert-butyl-4-(trifluoromethoxy)phenoxy]propan-1-amine
CID 89492673
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
CID 54855402
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
5-(2-bromo-4-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255804
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20987975

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine (CID 65256212) is 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine is COc1ccc(OCCCC(C)(C)CN)c(C(C)(C)C)c1.
What is the InChIKey of 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine?
The InChIKey is JWIQRPGMJSWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2,3)15-12-14(20-6)8-9-16(15)21-11-7-10-18(4,5)13-19/h8-9,12H,7,10-11,13,19H2,1-6H3.
What are the key properties of 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine?
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65256212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).