[(4-butan-2-ylphenyl)methyl-methylamino]methanol

C13H21NO — CID 115229112

IUPAC[(4-butan-2-ylphenyl)methyl-methylamino]methanol
SMILESCCC(C)c1ccc(CN(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-4-11(2)13-7-5-12(6-8-13)9-14(3)10-15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyQLVJHPVHJRBQKV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds5

About [(4-butan-2-ylphenyl)methyl-methylamino]methanol

[(4-butan-2-ylphenyl)methyl-methylamino]methanol (PubChem CID 115229112) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [(4-butan-2-ylphenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(4-butan-2-ylphenyl)methyl-methylamino]methanol
PubChem CID115229112
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[(4-butan-2-ylphenyl)methyl-methylamino]methanol
SMILESCCC(C)c1ccc(CN(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-4-11(2)13-7-5-12(6-8-13)9-14(3)10-15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyQLVJHPVHJRBQKV-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
6-[(4-butan-2-ylphenyl)methyl-methylamino]hexane-1,2,3,4,5-pentol
CID 54144171
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139144
1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 115256771
1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
CID 19893363
N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166354
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
[2-(4-butan-2-ylphenyl)ethyl-methylamino]methanethiol
CID 115228380
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793

Frequently Asked Questions

What is the IUPAC name of [(4-butan-2-ylphenyl)methyl-methylamino]methanol?
The IUPAC name of [(4-butan-2-ylphenyl)methyl-methylamino]methanol (CID 115229112) is [(4-butan-2-ylphenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(4-butan-2-ylphenyl)methyl-methylamino]methanol?
The canonical SMILES for [(4-butan-2-ylphenyl)methyl-methylamino]methanol is CCC(C)c1ccc(CN(C)CO)cc1.
What is the InChIKey of [(4-butan-2-ylphenyl)methyl-methylamino]methanol?
The InChIKey is QLVJHPVHJRBQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)13-7-5-12(6-8-13)9-14(3)10-15/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of [(4-butan-2-ylphenyl)methyl-methylamino]methanol?
[(4-butan-2-ylphenyl)methyl-methylamino]methanol has a molecular weight of 207.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butan-2-ylphenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).