4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol

C15H25NO — CID 103949947

IUPAC4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
SMILESCc1cccc(CNC(CCO)C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-12-6-5-7-13(10-12)11-16-14(8-9-17)15(2,3)4/h5-7,10,14,16-17H,8-9,11H2,1-4H3
InChIKeyQMUUKBJCUPLHHN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds5

About 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol

4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol (PubChem CID 103949947) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
PubChem CID103949947
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
SMILESCc1cccc(CNC(CCO)C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-12-6-5-7-13(10-12)11-16-14(8-9-17)15(2,3)4/h5-7,10,14,16-17H,8-9,11H2,1-4H3
InChIKeyQMUUKBJCUPLHHN-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 113357124
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
CID 114176802
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol (CID 103949947) is 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol is Cc1cccc(CNC(CCO)C(C)(C)C)c1.
What is the InChIKey of 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol?
The InChIKey is QMUUKBJCUPLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-6-5-7-13(10-12)11-16-14(8-9-17)15(2,3)4/h5-7,10,14,16-17H,8-9,11H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol?
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 103949947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).