3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol

C17H29NO2 — CID 114358206

IUPAC3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
SMILESCc1ccc(C(C)C)cc1OC(CO)C(N)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-11(2)13-8-7-12(3)14(9-13)20-15(10-19)16(18)17(4,5)6/h7-9,11,15-16,19H,10,18H2,1-6H3
InChIKeyIFPZJRKBXAJNOR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.23
Rot. Bonds5

About 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol

3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 114358206) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
PubChem CID114358206
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
SMILESCc1ccc(C(C)C)cc1OC(CO)C(N)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-11(2)13-8-7-12(3)14(9-13)20-15(10-19)16(18)17(4,5)6/h7-9,11,15-16,19H,10,18H2,1-6H3
InChIKeyIFPZJRKBXAJNOR-UHFFFAOYSA-N
XLogP3.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 114358201
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
2,2-bis[(2-methyl-5-propan-2-ylphenoxy)methyl]propane-1,3-diol
CID 24843314
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64897303
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
CID 64725441
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol (CID 114358206) is 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol is Cc1ccc(C(C)C)cc1OC(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is IFPZJRKBXAJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11(2)13-8-7-12(3)14(9-13)20-15(10-19)16(18)17(4,5)6/h7-9,11,15-16,19H,10,18H2,1-6H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 114358206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).