1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one

C14H20BrNO — CID 116558152

IUPAC1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCCCC(=O)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11(2)16-9-5-7-13(17)10-12-6-3-4-8-14(12)15/h3-4,6,8,11,16H,5,7,9-10H2,1-2H3
InChIKeyYXGWKFGGEBPDNB-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.34
Rot. Bonds7

About 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one

1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one (PubChem CID 116558152) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one
PubChem CID116558152
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCCCC(=O)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11(2)16-9-5-7-13(17)10-12-6-3-4-8-14(12)15/h3-4,6,8,11,16H,5,7,9-10H2,1-2H3
InChIKeyYXGWKFGGEBPDNB-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromophenyl)methyl 3-(propan-2-ylamino)propanoate
CID 82824277
1-(4-tert-butylphenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558232
1-(2-bromo-5-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556409
1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 114863253
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
1-(3,5-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 105411897
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850282
1-(3,4-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558289
1-(2-bromophenyl)-3-(propylamino)propan-2-one
CID 116562785
4-amino-1-(2-bromophenyl)-5-methylhexan-2-one
CID 116606255

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one (CID 116558152) is 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one is CC(C)NCCCC(=O)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one?
The InChIKey is YXGWKFGGEBPDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11(2)16-9-5-7-13(17)10-12-6-3-4-8-14(12)15/h3-4,6,8,11,16H,5,7,9-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one?
1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one has a molecular weight of 298.22 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 116558152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).