2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol

C17H29NO — CID 66178707

IUPAC2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)10-17(5,19)12-18-11-15-6-8-16(9-7-15)14(3)4/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKeyCDIDRIGOJSREMN-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds7

About 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol

2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol (PubChem CID 66178707) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
PubChem CID66178707
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)10-17(5,19)12-18-11-15-6-8-16(9-7-15)14(3)4/h6-9,13-14,18-19H,10-12H2,1-5H3
InChIKeyCDIDRIGOJSREMN-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-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

1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2,4-dimethyl-1-[(4-methyl-3-nitrophenyl)methylamino]pentan-2-ol
CID 66179326
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66179768
2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol
CID 66179115
2-[4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]phenyl]propanoic acid
CID 103256025
1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 104797006
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
CID 63858902

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol (CID 66178707) is 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol is CC(C)CC(C)(O)CNCc1ccc(C(C)C)cc1.
What is the InChIKey of 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol?
The InChIKey is CDIDRIGOJSREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)10-17(5,19)12-18-11-15-6-8-16(9-7-15)14(3)4/h6-9,13-14,18-19H,10-12H2,1-5H3.
What are the key properties of 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol?
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 66178707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).