2-[3-(aminomethyl)anilino]propan-1-ol

C10H16N2O — CID 102813984

IUPAC2-[3-(aminomethyl)anilino]propan-1-ol
SMILESCC(CO)Nc1cccc(CN)c1
InChIInChI=1S/C10H16N2O/c1-8(7-13)12-10-4-2-3-9(5-10)6-11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyUIMOFCJUDVCCIT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds4

About 2-[3-(aminomethyl)anilino]propan-1-ol

2-[3-(aminomethyl)anilino]propan-1-ol (PubChem CID 102813984) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[3-(aminomethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name2-[3-(aminomethyl)anilino]propan-1-ol
PubChem CID102813984
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[3-(aminomethyl)anilino]propan-1-ol
SMILESCC(CO)Nc1cccc(CN)c1
InChIInChI=1S/C10H16N2O/c1-8(7-13)12-10-4-2-3-9(5-10)6-11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyUIMOFCJUDVCCIT-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
CID 81273349
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
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3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile
CID 130704957
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CID 2760945
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)anilino]propan-1-ol?
The IUPAC name of 2-[3-(aminomethyl)anilino]propan-1-ol (CID 102813984) is 2-[3-(aminomethyl)anilino]propan-1-ol.
What is the SMILES notation for 2-[3-(aminomethyl)anilino]propan-1-ol?
The canonical SMILES for 2-[3-(aminomethyl)anilino]propan-1-ol is CC(CO)Nc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)anilino]propan-1-ol?
The InChIKey is UIMOFCJUDVCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(7-13)12-10-4-2-3-9(5-10)6-11/h2-5,8,12-13H,6-7,11H2,1H3.
What are the key properties of 2-[3-(aminomethyl)anilino]propan-1-ol?
2-[3-(aminomethyl)anilino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)anilino]propan-1-ol is sourced from PubChem (CID 102813984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).