4-[(1R)-1-aminopentyl]-3-methylphenol

C12H19NO — CID 55253511

IUPAC4-[(1R)-1-aminopentyl]-3-methylphenol
SMILESCCCC[C@@H](N)c1ccc(O)cc1C
InChIInChI=1S/C12H19NO/c1-3-4-5-12(13)11-7-6-10(14)8-9(11)2/h6-8,12,14H,3-5,13H2,1-2H3/t12-/m1/s1
InChIKeySCZUVAXHXYZZLP-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds4

About 4-[(1R)-1-aminopentyl]-3-methylphenol

4-[(1R)-1-aminopentyl]-3-methylphenol (PubChem CID 55253511) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(1R)-1-aminopentyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminopentyl]-3-methylphenol
PubChem CID55253511
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(1R)-1-aminopentyl]-3-methylphenol
SMILESCCCC[C@@H](N)c1ccc(O)cc1C
InChIInChI=1S/C12H19NO/c1-3-4-5-12(13)11-7-6-10(14)8-9(11)2/h6-8,12,14H,3-5,13H2,1-2H3/t12-/m1/s1
InChIKeySCZUVAXHXYZZLP-GFCCVEGCSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
3-[(1S)-1-aminopentyl]-4-bromophenol
CID 171223086
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
3-methyl-4-(1-sulfanyltridecyl)phenol
CID 88827718
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
4-[(1R)-1-aminopentyl]-3,5-dimethylphenol;hydrochloride
CID 171198708
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
4-butan-2-yl-3-methylphenol
CID 21413615
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
1-(2-methylphenyl)nonan-1-amine
CID 63412316
2-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,4-diol
CID 171261389

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopentyl]-3-methylphenol?
The IUPAC name of 4-[(1R)-1-aminopentyl]-3-methylphenol (CID 55253511) is 4-[(1R)-1-aminopentyl]-3-methylphenol.
What is the SMILES notation for 4-[(1R)-1-aminopentyl]-3-methylphenol?
The canonical SMILES for 4-[(1R)-1-aminopentyl]-3-methylphenol is CCCC[C@@H](N)c1ccc(O)cc1C.
What is the InChIKey of 4-[(1R)-1-aminopentyl]-3-methylphenol?
The InChIKey is SCZUVAXHXYZZLP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-5-12(13)11-7-6-10(14)8-9(11)2/h6-8,12,14H,3-5,13H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopentyl]-3-methylphenol?
4-[(1R)-1-aminopentyl]-3-methylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopentyl]-3-methylphenol is sourced from PubChem (CID 55253511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).