4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine

C18H31NO — CID 63476133

IUPAC4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
SMILESCCCNC(C)CCOc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-6-13-19-15(3)12-14-20-17-10-8-16(9-11-17)18(4,5)7-2/h8-11,15,19H,6-7,12-14H2,1-5H3
InChIKeyBCEHERVVEJBWRD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds9

About 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine

4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine (PubChem CID 63476133) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
PubChem CID63476133
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
SMILESCCCNC(C)CCOc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-6-13-19-15(3)12-14-20-17-10-8-16(9-11-17)18(4,5)7-2/h8-11,15,19H,6-7,12-14H2,1-5H3
InChIKeyBCEHERVVEJBWRD-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63473433
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
2-(ethylamino)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040484
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040659
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688624
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
The IUPAC name of 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine (CID 63476133) is 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine.
What is the SMILES notation for 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
The canonical SMILES for 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine is CCCNC(C)CCOc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
The InChIKey is BCEHERVVEJBWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-13-19-15(3)12-14-20-17-10-8-16(9-11-17)18(4,5)7-2/h8-11,15,19H,6-7,12-14H2,1-5H3.
What are the key properties of 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine is sourced from PubChem (CID 63476133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).