2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol

C17H29NO2 — CID 64802073

IUPAC2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
SMILESCCC(C)(C)c1ccc(OC(C)CC(C)(N)CO)cc1
InChIInChI=1S/C17H29NO2/c1-6-16(3,4)14-7-9-15(10-8-14)20-13(2)11-17(5,18)12-19/h7-10,13,19H,6,11-12,18H2,1-5H3
InChIKeyYJCTVBVFUIDLGJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.24
Rot. Bonds7

About 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol

2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol (PubChem CID 64802073) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
PubChem CID64802073
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
SMILESCCC(C)(C)c1ccc(OC(C)CC(C)(N)CO)cc1
InChIInChI=1S/C17H29NO2/c1-6-16(3,4)14-7-9-15(10-8-14)20-13(2)11-17(5,18)12-19/h7-10,13,19H,6,11-12,18H2,1-5H3
InChIKeyYJCTVBVFUIDLGJ-UHFFFAOYSA-N
XLogP3.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
CID 64811877
3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide
CID 114997399
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
2-amino-4-(3-methoxyphenoxy)-2-methylpentan-1-ol
CID 64805220
2-amino-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-ol
CID 64810416
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420
1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol (CID 64802073) is 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol is CCC(C)(C)c1ccc(OC(C)CC(C)(N)CO)cc1.
What is the InChIKey of 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol?
The InChIKey is YJCTVBVFUIDLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-16(3,4)14-7-9-15(10-8-14)20-13(2)11-17(5,18)12-19/h7-10,13,19H,6,11-12,18H2,1-5H3.
What are the key properties of 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol?
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol is sourced from PubChem (CID 64802073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).