1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one

C17H28N2O — CID 82256468

IUPAC1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(CC(C)C)C(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)10-19(11-13(3)4)14(5)17(20)15-6-8-16(18)9-7-15/h6-9,12-14H,10-11,18H2,1-5H3
InChIKeyHZZXETJKFGKVMO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one

1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one (PubChem CID 82256468) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one
PubChem CID82256468
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(CC(C)C)C(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)10-19(11-13(3)4)14(5)17(20)15-6-8-16(18)9-7-15/h6-9,12-14H,10-11,18H2,1-5H3
InChIKeyHZZXETJKFGKVMO-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.45
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

2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
CID 62035856
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
2-methylpropyl 4-aminobenzoate
CID 23616374
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
CID 79476971
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 63568429
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
2,2-diaminooxy-1-(4-aminophenyl)ethanone
CID 163727924
1-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]butan-1-one
CID 82256526
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
4-aminobenzoic acid;4-(dimethylamino)-3-methylbutan-2-ol;hydrochloride
CID 23616993

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one (CID 82256468) is 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one is CC(C)CN(CC(C)C)C(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one?
The InChIKey is HZZXETJKFGKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)10-19(11-13(3)4)14(5)17(20)15-6-8-16(18)9-7-15/h6-9,12-14H,10-11,18H2,1-5H3.
What are the key properties of 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one?
1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one has a molecular weight of 276.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one is sourced from PubChem (CID 82256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).