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

C17H29NO — CID 55193637

IUPAC2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-16(18-8-2)13(3)19-15-11-9-14(10-12-15)17(4,5)6/h9-13,16,18H,7-8H2,1-6H3
InChIKeyWMWGYBCTVOMVBK-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds6

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

2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine (PubChem CID 55193637) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine
PubChem CID55193637
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-7-16(18-8-2)13(3)19-15-11-9-14(10-12-15)17(4,5)6/h9-13,16,18H,7-8H2,1-6H3
InChIKeyWMWGYBCTVOMVBK-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

1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
CID 142044408
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
6-(4-tert-butylphenoxy)-N-ethylhexan-3-amine
CID 106800707
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63473433
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine (CID 55193637) is 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine is CCNC(CC)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine?
The InChIKey is WMWGYBCTVOMVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-16(18-8-2)13(3)19-15-11-9-14(10-12-15)17(4,5)6/h9-13,16,18H,7-8H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine?
2-(4-tert-butylphenoxy)-N-ethylpentan-3-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 2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine is sourced from PubChem (CID 55193637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).