2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol

C16H27NO3 — CID 116695488

IUPAC2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
SMILESCNC(CO)(CCOCCOC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO3/c1-14(2)20-12-11-19-10-9-16(13-18,17-3)15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyZYWVAYLCCIGIOE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.93
Rot. Bonds10

About 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol

2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol (PubChem CID 116695488) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
PubChem CID116695488
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
SMILESCNC(CO)(CCOCCOC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO3/c1-14(2)20-12-11-19-10-9-16(13-18,17-3)15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyZYWVAYLCCIGIOE-UHFFFAOYSA-N
XLogP1.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 64803423
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutan-1-ol
CID 107764880
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
4-(2-bromophenyl)sulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695703

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The IUPAC name of 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol (CID 116695488) is 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The canonical SMILES for 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol is CNC(CO)(CCOCCOC(C)C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The InChIKey is ZYWVAYLCCIGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(2)20-12-11-19-10-9-16(13-18,17-3)15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3.
What are the key properties of 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol?
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol is sourced from PubChem (CID 116695488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).