2-[(2-aminophenyl)methylamino]propane-1,3-diol

C10H16N2O2 — CID 66417695

IUPAC2-[(2-aminophenyl)methylamino]propane-1,3-diol
SMILESNc1ccccc1CNC(CO)CO
InChIInChI=1S/C10H16N2O2/c11-10-4-2-1-3-8(10)5-12-9(6-13)7-14/h1-4,9,12-14H,5-7,11H2
InChIKeyLDSJHQDBIMUAMN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.29
Rot. Bonds5

About 2-[(2-aminophenyl)methylamino]propane-1,3-diol

2-[(2-aminophenyl)methylamino]propane-1,3-diol (PubChem CID 66417695) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylamino]propane-1,3-diol
PubChem CID66417695
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[(2-aminophenyl)methylamino]propane-1,3-diol
SMILESNc1ccccc1CNC(CO)CO
InChIInChI=1S/C10H16N2O2/c11-10-4-2-1-3-8(10)5-12-9(6-13)7-14/h1-4,9,12-14H,5-7,11H2
InChIKeyLDSJHQDBIMUAMN-UHFFFAOYSA-N
XLogP-0.29
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252
2-[(2-ethylphenyl)methylamino]propane-1,3-diol
CID 65315433
2-[2-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]acetic acid
CID 115462100
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
2-(hydrazinylmethyl)aniline
CID 126609519
N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106703486
2-[(2,5-diaminophenyl)methylamino]butan-1-ol;hydrochloride
CID 22662430
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
2-[(1-hydroxyhexan-2-ylamino)methyl]phenol
CID 91522535
2-[(2-aminophenyl)methylamino]-3-methylsulfanylpropanoic acid
CID 13340365
(2R)-2-[(2-aminophenyl)methylamino]-3-methylsulfanylpropanoic acid
CID 13340366

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(2-aminophenyl)methylamino]propane-1,3-diol (CID 66417695) is 2-[(2-aminophenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-aminophenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(2-aminophenyl)methylamino]propane-1,3-diol is Nc1ccccc1CNC(CO)CO.
What is the InChIKey of 2-[(2-aminophenyl)methylamino]propane-1,3-diol?
The InChIKey is LDSJHQDBIMUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-10-4-2-1-3-8(10)5-12-9(6-13)7-14/h1-4,9,12-14H,5-7,11H2.
What are the key properties of 2-[(2-aminophenyl)methylamino]propane-1,3-diol?
2-[(2-aminophenyl)methylamino]propane-1,3-diol has a molecular weight of 196.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 66417695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).