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

C10H16N2O — CID 22693601

IUPAC1-[2-(aminomethyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccccc1CN
InChIInChI=1S/C10H16N2O/c1-8(13)7-12-10-5-3-2-4-9(10)6-11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyCWPPCLUKVDQRRM-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds4

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

1-[2-(aminomethyl)anilino]propan-2-ol (PubChem CID 22693601) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)anilino]propan-2-ol
PubChem CID22693601
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[2-(aminomethyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccccc1CN
InChIInChI=1S/C10H16N2O/c1-8(13)7-12-10-5-3-2-4-9(10)6-11/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyCWPPCLUKVDQRRM-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

1-(2-benzylanilino)propan-2-ol
CID 60884761
2,3-bis(2-hydroxypropylamino)phenol
CID 155229182
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
methyl 3-[2-(aminomethyl)anilino]propanoate
CID 69214017
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
CID 39240251
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)anilino]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)anilino]propan-2-ol (CID 22693601) is 1-[2-(aminomethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)anilino]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)anilino]propan-2-ol is CC(O)CNc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)anilino]propan-2-ol?
The InChIKey is CWPPCLUKVDQRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(13)7-12-10-5-3-2-4-9(10)6-11/h2-5,8,12-13H,6-7,11H2,1H3.
What are the key properties of 1-[2-(aminomethyl)anilino]propan-2-ol?
1-[2-(aminomethyl)anilino]propan-2-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 1-[2-(aminomethyl)anilino]propan-2-ol is sourced from PubChem (CID 22693601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).