4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol

C16H20N2O3 — CID 159984527

IUPAC4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
SMILESNCc1ccc(C(=O)O)cc1.NCc1ccc(CO)cc1
InChIInChI=1S/C8H9NO2.C8H11NO/c9-5-6-1-3-7(4-2-6)8(10)11;9-5-7-1-3-8(6-10)4-2-7/h1-4H,5,9H2,(H,10,11);1-4,10H,5-6,9H2
InChIKeyOGDXTHJYOCYPHC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.48
Rot. Bonds4

About 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol

4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol (PubChem CID 159984527) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol.

Molecular Properties

Compound Name4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
PubChem CID159984527
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
SMILESNCc1ccc(C(=O)O)cc1.NCc1ccc(CO)cc1
InChIInChI=1S/C8H9NO2.C8H11NO/c9-5-6-1-3-7(4-2-6)8(10)11;9-5-7-1-3-8(6-10)4-2-7/h1-4H,5,9H2,(H,10,11);1-4,10H,5-6,9H2
InChIKeyOGDXTHJYOCYPHC-UHFFFAOYSA-N
XLogP1.48
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
4-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845586
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
4-aminobenzoic acid;4-(aminomethyl)aniline;[4-(aminomethyl)phenyl]methanamine;aniline;methanamine
CID 160698628
benzoic acid;phenylmethanol
CID 175191007
4-[(E)-4-[4-(aminomethyl)phenyl]-1-oxobut-2-en-2-yl]benzoic acid
CID 174343021
4-[4-(hydroxymethyl)benzoyl]oxybenzoic acid
CID 89257139
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-(aminomethyl)benzoic acid;4-(aminomethyl)cyclohexane-1-carboxylic acid;methanediol;dihydrochloride
CID 70485202
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
4-(2-hydroxyethyl)benzoic acid
CID 506062

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol?
The IUPAC name of 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol (CID 159984527) is 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol.
What is the SMILES notation for 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol?
The canonical SMILES for 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol is NCc1ccc(C(=O)O)cc1.NCc1ccc(CO)cc1.
What is the InChIKey of 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol?
The InChIKey is OGDXTHJYOCYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C8H11NO/c9-5-6-1-3-7(4-2-6)8(10)11;9-5-7-1-3-8(6-10)4-2-7/h1-4H,5,9H2,(H,10,11);1-4,10H,5-6,9H2.
What are the key properties of 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol?
4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol has a molecular weight of 288.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol is sourced from PubChem (CID 159984527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).