(3-amino-5-methylphenyl)-(4-propylphenyl)methanone

C17H19NO — CID 113396436

IUPAC(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cc(C)cc(N)c2)cc1
InChIInChI=1S/C17H19NO/c1-3-4-13-5-7-14(8-6-13)17(19)15-9-12(2)10-16(18)11-15/h5-11H,3-4,18H2,1-2H3
InChIKeyBMOZHLGBRZNMFS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.76
Rot. Bonds4

About (3-amino-5-methylphenyl)-(4-propylphenyl)methanone

(3-amino-5-methylphenyl)-(4-propylphenyl)methanone (PubChem CID 113396436) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (3-amino-5-methylphenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
PubChem CID113396436
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cc(C)cc(N)c2)cc1
InChIInChI=1S/C17H19NO/c1-3-4-13-5-7-14(8-6-13)17(19)15-9-12(2)10-16(18)11-15/h5-11H,3-4,18H2,1-2H3
InChIKeyBMOZHLGBRZNMFS-UHFFFAOYSA-N
XLogP3.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
1-(3-amino-5-methylphenyl)propan-1-one
CID 123760774
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
CID 102706964
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
CID 107996346
ethyl 2-oxo-2-(4-propylphenyl)acetate
CID 2758899
ethane;4-propylbenzoic acid
CID 91047964
(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
CID 113367205

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylphenyl)-(4-propylphenyl)methanone?
The IUPAC name of (3-amino-5-methylphenyl)-(4-propylphenyl)methanone (CID 113396436) is (3-amino-5-methylphenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (3-amino-5-methylphenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (3-amino-5-methylphenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cc(C)cc(N)c2)cc1.
What is the InChIKey of (3-amino-5-methylphenyl)-(4-propylphenyl)methanone?
The InChIKey is BMOZHLGBRZNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-4-13-5-7-14(8-6-13)17(19)15-9-12(2)10-16(18)11-15/h5-11H,3-4,18H2,1-2H3.
What are the key properties of (3-amino-5-methylphenyl)-(4-propylphenyl)methanone?
(3-amino-5-methylphenyl)-(4-propylphenyl)methanone has a molecular weight of 253.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylphenyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 113396436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).