4-(4-amino-2-methylpentyl)-3,5-dimethylphenol

C14H23NO — CID 83923476

IUPAC4-(4-amino-2-methylpentyl)-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1CC(C)CC(C)N
InChIInChI=1S/C14H23NO/c1-9(5-12(4)15)6-14-10(2)7-13(16)8-11(14)3/h7-9,12,16H,5-6,15H2,1-4H3
InChIKeyYLCIHUNXWYLGSL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.92
Rot. Bonds4

About 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol

4-(4-amino-2-methylpentyl)-3,5-dimethylphenol (PubChem CID 83923476) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name4-(4-amino-2-methylpentyl)-3,5-dimethylphenol
PubChem CID83923476
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(4-amino-2-methylpentyl)-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1CC(C)CC(C)N
InChIInChI=1S/C14H23NO/c1-9(5-12(4)15)6-14-10(2)7-13(16)8-11(14)3/h7-9,12,16H,5-6,15H2,1-4H3
InChIKeyYLCIHUNXWYLGSL-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium
CID 59124055
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
tert-butyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 138718458
2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 75009597
4-(2-aminopropyl)-2,3,5-trimethylphenol
CID 117111308
(3,5-dimethylphenyl) 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 173042464
(2S)-2-azaniumyl-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 40580600
ethyl 2-amino-3-(2,4-dihydroxy-6-methylphenyl)propanoate
CID 170885118
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol?
The IUPAC name of 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol (CID 83923476) is 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol.
What is the SMILES notation for 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol?
The canonical SMILES for 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol is Cc1cc(O)cc(C)c1CC(C)CC(C)N.
What is the InChIKey of 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol?
The InChIKey is YLCIHUNXWYLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(5-12(4)15)6-14-10(2)7-13(16)8-11(14)3/h7-9,12,16H,5-6,15H2,1-4H3.
What are the key properties of 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol?
4-(4-amino-2-methylpentyl)-3,5-dimethylphenol has a molecular weight of 221.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpentyl)-3,5-dimethylphenol is sourced from PubChem (CID 83923476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).