1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one

C17H26N2O — CID 82136057

IUPAC1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(C)C2CCCCC2)cc1N
InChIInChI=1S/C17H26N2O/c1-13-8-9-14(12-16(13)18)17(20)10-11-19(2)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,18H2,1-2H3
InChIKeyHAWMNJYDENKJNL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds5

About 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one

1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one (PubChem CID 82136057) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
PubChem CID82136057
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(C)C2CCCCC2)cc1N
InChIInChI=1S/C17H26N2O/c1-13-8-9-14(12-16(13)18)17(20)10-11-19(2)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,18H2,1-2H3
InChIKeyHAWMNJYDENKJNL-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
1-(3-amino-4-methylphenyl)-4-cyclohexylbutan-1-one
CID 10491537
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
1-(3-amino-4-methylphenyl)-3-[benzyl(methyl)amino]propan-1-one
CID 82136060
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
1-(3-amino-4-methylphenyl)-3-[bis(2-methoxyethyl)amino]propan-1-one
CID 82136049
1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 93218970
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
CID 63314897
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one (CID 82136057) is 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one is Cc1ccc(C(=O)CCN(C)C2CCCCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one?
The InChIKey is HAWMNJYDENKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-8-9-14(12-16(13)18)17(20)10-11-19(2)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,18H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one?
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one is sourced from PubChem (CID 82136057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).