1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol

C16H27NO — CID 103908815

IUPAC1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCc1cccc(C)c1CNCC(O)CC(C)(C)C
InChIInChI=1S/C16H27NO/c1-12-7-6-8-13(2)15(12)11-17-10-14(18)9-16(3,4)5/h6-8,14,17-18H,9-11H2,1-5H3
InChIKeyUUZSPAYJVNDQMS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol

1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 103908815) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID103908815
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCc1cccc(C)c1CNCC(O)CC(C)(C)C
InChIInChI=1S/C16H27NO/c1-12-7-6-8-13(2)15(12)11-17-10-14(18)9-16(3,4)5/h6-8,14,17-18H,9-11H2,1-5H3
InChIKeyUUZSPAYJVNDQMS-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
CID 115897828
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
CID 107151998
1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151346
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
(2S)-4-[(2,6-dimethylphenyl)methylamino]butan-2-ol
CID 97358416
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151387

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol (CID 103908815) is 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol is Cc1cccc(C)c1CNCC(O)CC(C)(C)C.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is UUZSPAYJVNDQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-7-6-8-13(2)15(12)11-17-10-14(18)9-16(3,4)5/h6-8,14,17-18H,9-11H2,1-5H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103908815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).