4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol

C17H29NO — CID 103897565

IUPAC4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
SMILESCC(C)c1ccc(CNCC(C)(C)CCCO)cc1
InChIInChI=1S/C17H29NO/c1-14(2)16-8-6-15(7-9-16)12-18-13-17(3,4)10-5-11-19/h6-9,14,18-19H,5,10-13H2,1-4H3
InChIKeyWUDBMLCLHMFYII-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds8

About 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol

4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol (PubChem CID 103897565) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
PubChem CID103897565
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
SMILESCC(C)c1ccc(CNCC(C)(C)CCCO)cc1
InChIInChI=1S/C17H29NO/c1-14(2)16-8-6-15(7-9-16)12-18-13-17(3,4)10-5-11-19/h6-9,14,18-19H,5,10-13H2,1-4H3
InChIKeyWUDBMLCLHMFYII-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
N-[[4-(difluoromethyl)phenyl]methyl]-2,2-dimethylheptan-1-amine
CID 115524107
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 106146980
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol (CID 103897565) is 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol is CC(C)c1ccc(CNCC(C)(C)CCCO)cc1.
What is the InChIKey of 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol?
The InChIKey is WUDBMLCLHMFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)16-8-6-15(7-9-16)12-18-13-17(3,4)10-5-11-19/h6-9,14,18-19H,5,10-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol?
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 103897565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).