3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine

C18H31NO — CID 63473433

IUPAC3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-7-13-19-14(3)15(4)20-17-11-9-16(10-12-17)18(5,6)8-2/h9-12,14-15,19H,7-8,13H2,1-6H3
InChIKeyDZUWYXZEYHRDTO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds8

About 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine

3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine (PubChem CID 63473433) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
PubChem CID63473433
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-7-13-19-14(3)15(4)20-17-11-9-16(10-12-17)18(5,6)8-2/h9-12,14-15,19H,7-8,13H2,1-6H3
InChIKeyDZUWYXZEYHRDTO-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
CID 66259547
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420
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-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
2-(4-tert-butylphenoxy)-N-ethylpentan-3-amine
CID 55193637
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
1-(2-methylbutan-2-yl)-4-[1-(2,2,3,3,3-pentafluoropropoxy)ethoxy]benzene
CID 20756247

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
The IUPAC name of 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine (CID 63473433) is 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine.
What is the SMILES notation for 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
The canonical SMILES for 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine is CCCNC(C)C(C)Oc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
The InChIKey is DZUWYXZEYHRDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-13-19-14(3)15(4)20-17-11-9-16(10-12-17)18(5,6)8-2/h9-12,14-15,19H,7-8,13H2,1-6H3.
What are the key properties of 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine?
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine is sourced from PubChem (CID 63473433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).