N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine

C18H31NO — CID 63476113

IUPACN-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(OCCNC(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-8-14-9-10-16(15(13-14)17(2,3)4)20-12-11-19-18(5,6)7/h9-10,13,19H,8,11-12H2,1-7H3
InChIKeyNFBLKGKEICIIFG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine

N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 63476113) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
PubChem CID63476113
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(OCCNC(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-8-14-9-10-16(15(13-14)17(2,3)4)20-12-11-19-18(5,6)7/h9-10,13,19H,8,11-12H2,1-7H3
InChIKeyNFBLKGKEICIIFG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.31
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

N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
N-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2-methylpropan-2-amine
CID 2298399
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64804920
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
N-tert-butyl-4-(2-tert-butyl-4-chlorophenoxy)butan-1-amine
CID 2297519
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
[3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine (CID 63476113) is N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine is CCc1ccc(OCCNC(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is NFBLKGKEICIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-14-9-10-16(15(13-14)17(2,3)4)20-12-11-19-18(5,6)7/h9-10,13,19H,8,11-12H2,1-7H3.
What are the key properties of N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63476113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).