2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol

C17H27NO3 — CID 116695480

IUPAC2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCC1CCCCO1)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-18-17(14-19,15-7-3-2-4-8-15)10-12-20-13-16-9-5-6-11-21-16/h2-4,7-8,16,18-19H,5-6,9-14H2,1H3
InChIKeyPSWZLKYBODFDKP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.07
Rot. Bonds8

About 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol

2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol (PubChem CID 116695480) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
PubChem CID116695480
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCC1CCCCO1)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-18-17(14-19,15-7-3-2-4-8-15)10-12-20-13-16-9-5-6-11-21-16/h2-4,7-8,16,18-19H,5-6,9-14H2,1H3
InChIKeyPSWZLKYBODFDKP-UHFFFAOYSA-N
XLogP2.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.07
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

4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
CID 116692825
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
4-(2-ethylmorpholin-4-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695149
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol?
The IUPAC name of 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol (CID 116695480) is 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol is CNC(CO)(CCOCC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol?
The InChIKey is PSWZLKYBODFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-18-17(14-19,15-7-3-2-4-8-15)10-12-20-13-16-9-5-6-11-21-16/h2-4,7-8,16,18-19H,5-6,9-14H2,1H3.
What are the key properties of 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol?
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).