2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol

C18H31NO2 — CID 106810572

IUPAC2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C18H31NO2/c1-6-18(19,13-20)10-7-11-21-16-9-8-15(12-14(16)2)17(3,4)5/h8-9,12,20H,6-7,10-11,13,19H2,1-5H3
InChIKeyPTIUNGOZEXZYOU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.55
Rot. Bonds7

About 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol

2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol (PubChem CID 106810572) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol
PubChem CID106810572
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C18H31NO2/c1-6-18(19,13-20)10-7-11-21-16-9-8-15(12-14(16)2)17(3,4)5/h8-9,12,20H,6-7,10-11,13,19H2,1-5H3
InChIKeyPTIUNGOZEXZYOU-UHFFFAOYSA-N
XLogP3.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-tert-butyl-2-methylphenoxy)-2-methylbutan-1-ol
CID 64806676
2-amino-2-ethyl-4-(4-heptoxy-3-methylphenyl)butan-1-ol
CID 71070887
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
CID 106810424
butyl-[2-(4-tert-butyl-2-methylphenoxy)ethyl]azanium
CID 2580791
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
3-[4-[[4-(3-hydroxypropoxy)-3-methylphenyl]-diphenylmethyl]-2-methylphenoxy]propan-1-ol
CID 139641149
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
5-(2,4-dimethylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64803899
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
N-[(2S)-butan-2-yl]-4-(4-tert-butyl-2-methylphenoxy)butan-1-amine
CID 2181390

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol?
The IUPAC name of 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol (CID 106810572) is 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol?
The canonical SMILES for 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol is CCC(N)(CO)CCCOc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol?
The InChIKey is PTIUNGOZEXZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-18(19,13-20)10-7-11-21-16-9-8-15(12-14(16)2)17(3,4)5/h8-9,12,20H,6-7,10-11,13,19H2,1-5H3.
What are the key properties of 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol?
2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-tert-butyl-2-methylphenoxy)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).