1-amino-1-(3-amino-5-methylphenyl)propan-2-ol

C10H16N2O — CID 130002019

IUPAC1-amino-1-(3-amino-5-methylphenyl)propan-2-ol
SMILESCc1cc(N)cc(C(N)C(C)O)c1
InChIInChI=1S/C10H16N2O/c1-6-3-8(5-9(11)4-6)10(12)7(2)13/h3-5,7,10,13H,11-12H2,1-2H3
InChIKeyLYDRHNDSTZPIEL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.96
Rot. Bonds2

About 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol

1-amino-1-(3-amino-5-methylphenyl)propan-2-ol (PubChem CID 130002019) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(3-amino-5-methylphenyl)propan-2-ol
PubChem CID130002019
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-amino-1-(3-amino-5-methylphenyl)propan-2-ol
SMILESCc1cc(N)cc(C(N)C(C)O)c1
InChIInChI=1S/C10H16N2O/c1-6-3-8(5-9(11)4-6)10(12)7(2)13/h3-5,7,10,13H,11-12H2,1-2H3
InChIKeyLYDRHNDSTZPIEL-UHFFFAOYSA-N
XLogP0.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
amino-(3-amino-5-methylphenyl)methanol
CID 57041170
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267408
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
1-(3-amino-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171861773
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
3,5-dimethylaniline;hydrofluoride
CID 158073989
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol (CID 130002019) is 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol is Cc1cc(N)cc(C(N)C(C)O)c1.
What is the InChIKey of 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol?
The InChIKey is LYDRHNDSTZPIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-3-8(5-9(11)4-6)10(12)7(2)13/h3-5,7,10,13H,11-12H2,1-2H3.
What are the key properties of 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol?
1-amino-1-(3-amino-5-methylphenyl)propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-amino-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 130002019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).