6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride

C10H15ClN2O — CID 171253567

IUPAC6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
SMILESC=C[C@H](N)c1c(C)ccc(N)c1O.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-3-7(11)9-6(2)4-5-8(12)10(9)13;/h3-5,7,13H,1,11-12H2,2H3;1H/t7-;/m0./s1
InChIKeyGLJNRRQUVPZQQV-FJXQXJEOSA-N
MW214.70 g/mol
LogP1.89
Rot. Bonds2

About 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride

6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride (PubChem CID 171253567) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride.

Molecular Properties

Compound Name6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
PubChem CID171253567
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
SMILESC=C[C@H](N)c1c(C)ccc(N)c1O.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-3-7(11)9-6(2)4-5-8(12)10(9)13;/h3-5,7,13H,1,11-12H2,2H3;1H/t7-;/m0./s1
InChIKeyGLJNRRQUVPZQQV-FJXQXJEOSA-N
XLogP1.89
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-3-methylphenol
CID 130692924
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol
CID 130722314
2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline
CID 130671812
6-amino-2-[(1S)-1-amino-2,2-difluoroethyl]-3-methylphenol
CID 131219013
6-amino-2-[(1R)-1,2-diaminoethyl]-3-methylphenol
CID 131008414
(2S)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetonitrile
CID 131008413
6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
CID 171253592
methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate
CID 171253569
6-[(1R)-1-aminoprop-2-enyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171258574
[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
CID 130042268
methyl (3R)-3-amino-3-(3-amino-2-hydroxy-6-methylphenyl)propanoate
CID 171256915
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride?
The IUPAC name of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride (CID 171253567) is 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride.
What is the SMILES notation for 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride?
The canonical SMILES for 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride is C=C[C@H](N)c1c(C)ccc(N)c1O.Cl.
What is the InChIKey of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride?
The InChIKey is GLJNRRQUVPZQQV-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-3-7(11)9-6(2)4-5-8(12)10(9)13;/h3-5,7,13H,1,11-12H2,2H3;1H/t7-;/m0./s1.
What are the key properties of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride?
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride is sourced from PubChem (CID 171253567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).