benzoic acid;diphenylmethanamine

C20H19NO2 — CID 3075109

IUPACbenzoic acid;diphenylmethanamine
SMILESNC(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C13H13N.C7H6O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10,13H,14H2;1-5H,(H,8,9)
InChIKeyDOQMECUKKWWDJV-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.12
Rot. Bonds3

About benzoic acid;diphenylmethanamine

benzoic acid;diphenylmethanamine (PubChem CID 3075109) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzoic acid;diphenylmethanamine.

Molecular Properties

Compound Namebenzoic acid;diphenylmethanamine
PubChem CID3075109
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namebenzoic acid;diphenylmethanamine
SMILESNC(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C13H13N.C7H6O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10,13H,14H2;1-5H,(H,8,9)
InChIKeyDOQMECUKKWWDJV-UHFFFAOYSA-N
XLogP4.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanamine;3-hydroxybenzoic acid
CID 3075100
benzoic acid;methanamine
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CID 87090637
CID 87090637
CID 87293530
CID 87293530
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
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benzoic acid;λ2-plumbane
CID 174927932
Lithium benzoate, 99%
CID 57451198
4-[amino-(4-bromophenyl)methyl]benzoic acid
CID 116938745
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CID 67153031

Frequently Asked Questions

What is the IUPAC name of benzoic acid;diphenylmethanamine?
The IUPAC name of benzoic acid;diphenylmethanamine (CID 3075109) is benzoic acid;diphenylmethanamine.
What is the SMILES notation for benzoic acid;diphenylmethanamine?
The canonical SMILES for benzoic acid;diphenylmethanamine is NC(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;diphenylmethanamine?
The InChIKey is DOQMECUKKWWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C7H6O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10,13H,14H2;1-5H,(H,8,9).
What are the key properties of benzoic acid;diphenylmethanamine?
benzoic acid;diphenylmethanamine has a molecular weight of 305.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;diphenylmethanamine is sourced from PubChem (CID 3075109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).