2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine

C17H29NO — CID 55196778

IUPAC2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-15(12-18-13(2)3)19-16-10-8-9-14(11-16)17(4,5)6/h8-11,13,15,18H,7,12H2,1-6H3
InChIKeyXPGZANPEIFTEQB-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine

2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 55196778) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID55196778
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-15(12-18-13(2)3)19-16-10-8-9-14(11-16)17(4,5)6/h8-11,13,15,18H,7,12H2,1-6H3
InChIKeyXPGZANPEIFTEQB-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

2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
3-(3-tert-butylphenoxy)pentanethioamide
CID 43368943
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 63492520
1,3-di(pentan-3-yloxy)benzene
CID 91386050
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine (CID 55196778) is 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is XPGZANPEIFTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-15(12-18-13(2)3)19-16-10-8-9-14(11-16)17(4,5)6/h8-11,13,15,18H,7,12H2,1-6H3.
What are the key properties of 2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine?
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-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-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55196778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).