[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol

C17H28N2O2 — CID 81194556

IUPAC[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCOC(CO)C1
InChIInChI=1S/C17H28N2O2/c1-13-9-14(10-18-17(2,3)4)5-6-16(13)19-7-8-21-15(11-19)12-20/h5-6,9,15,18,20H,7-8,10-12H2,1-4H3
InChIKeyBVSQPRFNHSFQPK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.08
Rot. Bonds4

About [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol

[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol (PubChem CID 81194556) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
PubChem CID81194556
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCOC(CO)C1
InChIInChI=1S/C17H28N2O2/c1-13-9-14(10-18-17(2,3)4)5-6-16(13)19-7-8-21-15(11-19)12-20/h5-6,9,15,18,20H,7-8,10-12H2,1-4H3
InChIKeyBVSQPRFNHSFQPK-UHFFFAOYSA-N
XLogP2.08
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol (CID 81194556) is [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol is Cc1cc(CNC(C)(C)C)ccc1N1CCOC(CO)C1.
What is the InChIKey of [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol?
The InChIKey is BVSQPRFNHSFQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-9-14(10-18-17(2,3)4)5-6-16(13)19-7-8-21-15(11-19)12-20/h5-6,9,15,18,20H,7-8,10-12H2,1-4H3.
What are the key properties of [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol?
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81194556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).