2-[(2-aminophenyl)methylamino]propan-1-ol

C10H16N2O — CID 66386252

IUPAC2-[(2-aminophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1ccccc1N
InChIInChI=1S/C10H16N2O/c1-8(7-13)12-6-9-4-2-3-5-10(9)11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyMINQFPCLKGQNPF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.74
Rot. Bonds4

About 2-[(2-aminophenyl)methylamino]propan-1-ol

2-[(2-aminophenyl)methylamino]propan-1-ol (PubChem CID 66386252) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylamino]propan-1-ol
PubChem CID66386252
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(2-aminophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1ccccc1N
InChIInChI=1S/C10H16N2O/c1-8(7-13)12-6-9-4-2-3-5-10(9)11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyMINQFPCLKGQNPF-UHFFFAOYSA-N
XLogP0.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.74
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

2-[(2-aminophenyl)methylamino]propane-1,3-diol
CID 66417695
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
2-[(1-hydroxypropan-2-ylamino)methyl]benzoic acid
CID 103238312
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106703486
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 66417891
2-[(2-aminophenyl)methylamino]-3-methylsulfanylpropanoic acid
CID 13340365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-aminophenyl)methylamino]propan-1-ol (CID 66386252) is 2-[(2-aminophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-aminophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-aminophenyl)methylamino]propan-1-ol is CC(CO)NCc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylamino]propan-1-ol?
The InChIKey is MINQFPCLKGQNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(7-13)12-6-9-4-2-3-5-10(9)11/h2-5,8,12-13H,6-7,11H2,1H3.
What are the key properties of 2-[(2-aminophenyl)methylamino]propan-1-ol?
2-[(2-aminophenyl)methylamino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 66386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).