(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone

C14H15N3O — CID 163468215

IUPAC(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
SMILESCc1cc(N)ccc1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H15N3O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7H,15-17H2,1H3
InChIKeyBUJVBPPKGPOPJM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds2

About (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone

(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone (PubChem CID 163468215) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
PubChem CID163468215
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
SMILESCc1cc(N)ccc1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H15N3O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7H,15-17H2,1H3
InChIKeyBUJVBPPKGPOPJM-UHFFFAOYSA-N
XLogP1.97
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
CID 118105017
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
CID 115483333
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
carbamoyl 4-amino-2-methylbenzoate
CID 88539769
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone
CID 58659577
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
CID 61212389
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
4-methylbenzene-1,3-diamine
CID 159171817

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone (CID 163468215) is (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone is Cc1cc(N)ccc1C(=O)c1ccc(N)cc1N.
What is the InChIKey of (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone?
The InChIKey is BUJVBPPKGPOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7H,15-17H2,1H3.
What are the key properties of (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone?
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone is sourced from PubChem (CID 163468215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).