[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide

C16H20N4O2 — CID 68644964

IUPAC[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)cc1.NCc1ccc(CN)cc1
InChIInChI=1S/C8H8N2O2.C8H12N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-1-2-8(6-10)4-3-7/h1-4H,(H2,9,11)(H2,10,12);1-4H,5-6,9-10H2
InChIKeyGIAYLSAQLLIACQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.49
Rot. Bonds4

About [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide

[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide (PubChem CID 68644964) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
PubChem CID68644964
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)cc1.NCc1ccc(CN)cc1
InChIInChI=1S/C8H8N2O2.C8H12N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-1-2-8(6-10)4-3-7/h1-4H,(H2,9,11)(H2,10,12);1-4H,5-6,9-10H2
InChIKeyGIAYLSAQLLIACQ-UHFFFAOYSA-N
XLogP0.49
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4-carbamoylphenyl) 4-(aminomethyl)benzoate
CID 166334939
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
4-(aminomethyl)benzenecarbothioic S-acid
CID 86120927
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(2-phenylethyl)benzamide
CID 23130460
6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
CID 142645139
4-[4-(bromomethyl)phenyl]benzamide
CID 123362022
4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
CID 159984527
4-(4-ethylphenyl)benzamide
CID 53425878
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide?
The IUPAC name of [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide (CID 68644964) is [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide.
What is the SMILES notation for [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide?
The canonical SMILES for [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)cc1.NCc1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide?
The InChIKey is GIAYLSAQLLIACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C8H12N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-1-2-8(6-10)4-3-7/h1-4H,(H2,9,11)(H2,10,12);1-4H,5-6,9-10H2.
What are the key properties of [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide?
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide is sourced from PubChem (CID 68644964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).