4-[(1S)-1-aminopentyl]-2-methylphenol

C12H19NO — CID 171145513

IUPAC4-[(1S)-1-aminopentyl]-2-methylphenol
SMILESCCCC[C@H](N)c1ccc(O)c(C)c1
InChIInChI=1S/C12H19NO/c1-3-4-5-11(13)10-6-7-12(14)9(2)8-10/h6-8,11,14H,3-5,13H2,1-2H3/t11-/m0/s1
InChIKeyKCJDTNMELQVEDX-NSHDSACASA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds4

About 4-[(1S)-1-aminopentyl]-2-methylphenol

4-[(1S)-1-aminopentyl]-2-methylphenol (PubChem CID 171145513) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(1S)-1-aminopentyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(1S)-1-aminopentyl]-2-methylphenol
PubChem CID171145513
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(1S)-1-aminopentyl]-2-methylphenol
SMILESCCCC[C@H](N)c1ccc(O)c(C)c1
InChIInChI=1S/C12H19NO/c1-3-4-5-11(13)10-6-7-12(14)9(2)8-10/h6-8,11,14H,3-5,13H2,1-2H3/t11-/m0/s1
InChIKeyKCJDTNMELQVEDX-NSHDSACASA-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-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
CID 171211681
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopentyl]-2-methylphenol?
The IUPAC name of 4-[(1S)-1-aminopentyl]-2-methylphenol (CID 171145513) is 4-[(1S)-1-aminopentyl]-2-methylphenol.
What is the SMILES notation for 4-[(1S)-1-aminopentyl]-2-methylphenol?
The canonical SMILES for 4-[(1S)-1-aminopentyl]-2-methylphenol is CCCC[C@H](N)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(1S)-1-aminopentyl]-2-methylphenol?
The InChIKey is KCJDTNMELQVEDX-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-5-11(13)10-6-7-12(14)9(2)8-10/h6-8,11,14H,3-5,13H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-aminopentyl]-2-methylphenol?
4-[(1S)-1-aminopentyl]-2-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-[(1S)-1-aminopentyl]-2-methylphenol is sourced from PubChem (CID 171145513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).