2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol

C16H27NO2 — CID 116695468

IUPAC2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCCC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-14(2)9-11-19-12-10-16(13-18,17-3)15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyPOPNGAOTQPXUFS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.55
Rot. Bonds9

About 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol

2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol (PubChem CID 116695468) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
PubChem CID116695468
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCCC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-14(2)9-11-19-12-10-16(13-18,17-3)15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyPOPNGAOTQPXUFS-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutan-1-ol
CID 107764880
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-[2-(3-methylbutoxy)ethyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79450861
2-(methylamino)-4-[methyl(pentan-2-yl)amino]-2-phenylbutan-1-ol
CID 116695166
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol?
The IUPAC name of 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol (CID 116695468) is 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol is CNC(CO)(CCOCCC(C)C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol?
The InChIKey is POPNGAOTQPXUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)9-11-19-12-10-16(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)-4-(3-methylbutoxy)-2-phenylbutan-1-ol?
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).