4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine

C17H29NO — CID 64706884

IUPAC4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-18-13(2)11-14(3)19-16-10-8-9-15(12-16)17(4,5)6/h8-10,12-14,18H,7,11H2,1-6H3
InChIKeyMJJXKUYXQMOMNE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds6

About 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine

4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine (PubChem CID 64706884) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
PubChem CID64706884
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-18-13(2)11-14(3)19-16-10-8-9-15(12-16)17(4,5)6/h8-10,12-14,18H,7,11H2,1-6H3
InChIKeyMJJXKUYXQMOMNE-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
CID 64707887
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
4-(3-tert-butylphenoxy)-2-(ethylamino)butanoic acid
CID 63035655
2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine?
The IUPAC name of 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine (CID 64706884) is 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine is CCNC(C)CC(C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine?
The InChIKey is MJJXKUYXQMOMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-18-13(2)11-14(3)19-16-10-8-9-15(12-16)17(4,5)6/h8-10,12-14,18H,7,11H2,1-6H3.
What are the key properties of 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine?
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 64706884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).