4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol

C13H21NO2 — CID 107230759

IUPAC4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCc1ccc(CO)cc1
InChIInChI=1S/C13H21NO2/c1-13(2,16)7-8-14-9-11-3-5-12(10-15)6-4-11/h3-6,14-16H,7-10H2,1-2H3
InChIKeySTANZUPVNJLRRC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds6

About 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol

4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol (PubChem CID 107230759) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
PubChem CID107230759
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCc1ccc(CO)cc1
InChIInChI=1S/C13H21NO2/c1-13(2,16)7-8-14-9-11-3-5-12(10-15)6-4-11/h3-6,14-16H,7-10H2,1-2H3
InChIKeySTANZUPVNJLRRC-UHFFFAOYSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol
CID 79360596
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
[4-[(6-methylsulfanylhexylamino)methyl]phenyl]methanol
CID 114125587
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol (CID 107230759) is 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol is CC(C)(O)CCNCc1ccc(CO)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
The InChIKey is STANZUPVNJLRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,16)7-8-14-9-11-3-5-12(10-15)6-4-11/h3-6,14-16H,7-10H2,1-2H3.
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol?
4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 107230759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).