4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol

C15H25NO — CID 103897567

IUPAC4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
SMILESCc1ccc(CNCC(C)(C)CCCO)cc1
InChIInChI=1S/C15H25NO/c1-13-5-7-14(8-6-13)11-16-12-15(2,3)9-4-10-17/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyLADUDAIFHPQNKR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds7

About 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol

4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol (PubChem CID 103897567) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
PubChem CID103897567
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
SMILESCc1ccc(CNCC(C)(C)CCCO)cc1
InChIInChI=1S/C15H25NO/c1-13-5-7-14(8-6-13)11-16-12-15(2,3)9-4-10-17/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyLADUDAIFHPQNKR-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106144224
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
CID 103897600

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol (CID 103897567) is 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol is Cc1ccc(CNCC(C)(C)CCCO)cc1.
What is the InChIKey of 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol?
The InChIKey is LADUDAIFHPQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-5-7-14(8-6-13)11-16-12-15(2,3)9-4-10-17/h5-8,16-17H,4,9-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol?
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.88, 7 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-methylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 103897567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).