4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol

C17H29NO — CID 103910841

IUPAC4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
SMILESCC(C)C(NCC(O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-13(2)16(14-9-7-6-8-10-14)18-12-15(19)11-17(3,4)5/h6-10,13,15-16,18-19H,11-12H2,1-5H3
InChIKeyPJIJNMMPTYYQDU-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.77
Rot. Bonds6

About 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol

4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol (PubChem CID 103910841) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
PubChem CID103910841
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
SMILESCC(C)C(NCC(O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-13(2)16(14-9-7-6-8-10-14)18-12-15(19)11-17(3,4)5/h6-10,13,15-16,18-19H,11-12H2,1-5H3
InChIKeyPJIJNMMPTYYQDU-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]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

4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 86882554
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
3-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylpropanoic acid
CID 107152190
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol (CID 103910841) is 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol is CC(C)C(NCC(O)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol?
The InChIKey is PJIJNMMPTYYQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)16(14-9-7-6-8-10-14)18-12-15(19)11-17(3,4)5/h6-10,13,15-16,18-19H,11-12H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol?
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol is sourced from PubChem (CID 103910841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).