4-(benzylamino)-2-methylbutan-2-ol

C12H19NO — CID 21242176

IUPAC4-(benzylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3
InChIKeyGMKHFUSTODJFBW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.94
Rot. Bonds5

About 4-(benzylamino)-2-methylbutan-2-ol

4-(benzylamino)-2-methylbutan-2-ol (PubChem CID 21242176) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(benzylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(benzylamino)-2-methylbutan-2-ol
PubChem CID21242176
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(benzylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3
InChIKeyGMKHFUSTODJFBW-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 107230759
1-[2-(benzylamino)ethylsulfanyl]-2-methylpropan-2-ol
CID 115630878
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
N-benzylethanamine;tris(yttrium)
CID 158198357
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
N-benzylpropan-1-amine;ethane;propane
CID 145164103
tert-butyl 3-(benzylamino)propanoate
CID 10776134
N-benzyltridecan-1-amine;hydrochloride
CID 173249552

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(benzylamino)-2-methylbutan-2-ol (CID 21242176) is 4-(benzylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(benzylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(benzylamino)-2-methylbutan-2-ol is CC(C)(O)CCNCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-2-methylbutan-2-ol?
The InChIKey is GMKHFUSTODJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3.
What are the key properties of 4-(benzylamino)-2-methylbutan-2-ol?
4-(benzylamino)-2-methylbutan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 21242176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).