4-(2-amino-4-methylpentyl)-2-methylphenol

C13H21NO — CID 178163187

IUPAC4-(2-amino-4-methylpentyl)-2-methylphenol
SMILESCc1cc(CC(N)CC(C)C)ccc1O
InChIInChI=1S/C13H21NO/c1-9(2)6-12(14)8-11-4-5-13(15)10(3)7-11/h4-5,7,9,12,15H,6,8,14H2,1-3H3
InChIKeyVTFAUBSXMQAPER-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds4

About 4-(2-amino-4-methylpentyl)-2-methylphenol

4-(2-amino-4-methylpentyl)-2-methylphenol (PubChem CID 178163187) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2-amino-4-methylpentyl)-2-methylphenol.

Molecular Properties

Compound Name4-(2-amino-4-methylpentyl)-2-methylphenol
PubChem CID178163187
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(2-amino-4-methylpentyl)-2-methylphenol
SMILESCc1cc(CC(N)CC(C)C)ccc1O
InChIInChI=1S/C13H21NO/c1-9(2)6-12(14)8-11-4-5-13(15)10(3)7-11/h4-5,7,9,12,15H,6,8,14H2,1-3H3
InChIKeyVTFAUBSXMQAPER-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane
CID 142227423
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
2-(2-amino-4-methylpentyl)-6-methylpyridin-3-ol
CID 79162899
4-(4-aminoheptyl)-2-methylphenol
CID 83922946

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylpentyl)-2-methylphenol?
The IUPAC name of 4-(2-amino-4-methylpentyl)-2-methylphenol (CID 178163187) is 4-(2-amino-4-methylpentyl)-2-methylphenol.
What is the SMILES notation for 4-(2-amino-4-methylpentyl)-2-methylphenol?
The canonical SMILES for 4-(2-amino-4-methylpentyl)-2-methylphenol is Cc1cc(CC(N)CC(C)C)ccc1O.
What is the InChIKey of 4-(2-amino-4-methylpentyl)-2-methylphenol?
The InChIKey is VTFAUBSXMQAPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)6-12(14)8-11-4-5-13(15)10(3)7-11/h4-5,7,9,12,15H,6,8,14H2,1-3H3.
What are the key properties of 4-(2-amino-4-methylpentyl)-2-methylphenol?
4-(2-amino-4-methylpentyl)-2-methylphenol has a molecular weight of 207.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylpentyl)-2-methylphenol is sourced from PubChem (CID 178163187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).