[2-amino-5-(butylamino)phenyl]-phenylmethanone

C17H20N2O — CID 154388961

IUPAC[2-amino-5-(butylamino)phenyl]-phenylmethanone
SMILESCCCCNc1ccc(N)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-2-3-11-19-14-9-10-16(18)15(12-14)17(20)13-7-5-4-6-8-13/h4-10,12,19H,2-3,11,18H2,1H3
InChIKeyJIHPFJFLEPIXRV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.71
Rot. Bonds6

About [2-amino-5-(butylamino)phenyl]-phenylmethanone

[2-amino-5-(butylamino)phenyl]-phenylmethanone (PubChem CID 154388961) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-amino-5-(butylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-5-(butylamino)phenyl]-phenylmethanone
PubChem CID154388961
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[2-amino-5-(butylamino)phenyl]-phenylmethanone
SMILESCCCCNc1ccc(N)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-2-3-11-19-14-9-10-16(18)15(12-14)17(20)13-7-5-4-6-8-13/h4-10,12,19H,2-3,11,18H2,1H3
InChIKeyJIHPFJFLEPIXRV-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-(propylamino)phenyl]-phenylmethanone
CID 174896949
1-[5-(butylamino)-2-hydroxyphenyl]ethanone
CID 53407143
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
2-amino-5-(4,4,4-trifluorobutylamino)benzoic acid
CID 115521848
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
2-amino-5-(5,5,5-trifluoropentylamino)benzoic acid
CID 115521860
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
methyl 2-amino-5-(4-methylpentylamino)benzoate
CID 63002592
CID 70563593
CID 70563593
disodium;hydride;4-(octadecylamino)phthalic acid
CID 173436472
[3-amino-4-(butylamino)phenyl]-(4-amino-3-methylphenyl)methanone
CID 167198862
1-anilinooctan-4-one
CID 10680405

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(butylamino)phenyl]-phenylmethanone?
The IUPAC name of [2-amino-5-(butylamino)phenyl]-phenylmethanone (CID 154388961) is [2-amino-5-(butylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-5-(butylamino)phenyl]-phenylmethanone?
The canonical SMILES for [2-amino-5-(butylamino)phenyl]-phenylmethanone is CCCCNc1ccc(N)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [2-amino-5-(butylamino)phenyl]-phenylmethanone?
The InChIKey is JIHPFJFLEPIXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-11-19-14-9-10-16(18)15(12-14)17(20)13-7-5-4-6-8-13/h4-10,12,19H,2-3,11,18H2,1H3.
What are the key properties of [2-amino-5-(butylamino)phenyl]-phenylmethanone?
[2-amino-5-(butylamino)phenyl]-phenylmethanone has a molecular weight of 268.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(butylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 154388961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).