3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol

C16H23NO — CID 63966881

IUPAC3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCCC(C)(C)N(C)Cc1ccccc1C#CCO
InChIInChI=1S/C16H23NO/c1-5-16(2,3)17(4)13-15-10-7-6-9-14(15)11-8-12-18/h6-7,9-10,18H,5,12-13H2,1-4H3
InChIKeyWGCJZQZEBDBSCK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.65
Rot. Bonds4

About 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol

3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol (PubChem CID 63966881) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
PubChem CID63966881
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCCC(C)(C)N(C)Cc1ccccc1C#CCO
InChIInChI=1S/C16H23NO/c1-5-16(2,3)17(4)13-15-10-7-6-9-14(15)11-8-12-18/h6-7,9-10,18H,5,12-13H2,1-4H3
InChIKeyWGCJZQZEBDBSCK-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 55091735
3-(2-tert-butylphenyl)prop-2-yn-1-ol
CID 58989890
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960510
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 81111695
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960346
2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 28759320
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methyloxane-2-carboxamide
CID 62215167

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol (CID 63966881) is 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol is CCC(C)(C)N(C)Cc1ccccc1C#CCO.
What is the InChIKey of 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is WGCJZQZEBDBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-16(2,3)17(4)13-15-10-7-6-9-14(15)11-8-12-18/h6-7,9-10,18H,5,12-13H2,1-4H3.
What are the key properties of 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol?
3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 63966881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).