1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one

C14H18BrNO — CID 45141380

IUPAC1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyZZWUEOYQVWAKCJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.55
Rot. Bonds4

About 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one

1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one (PubChem CID 45141380) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one
PubChem CID45141380
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyZZWUEOYQVWAKCJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-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

Monomethylpropion
CID 1576
4-Methylethcathinone
CID 52988259
Buphedrone
CID 53249194
Pentedrone
CID 57501499
Ethcathinone
CID 458519
2-(Pyrrolidin-1-yl)-1-(4-bromophenyl)pentan-1-one
CID 11220599
2-(Ethylamino)-1-(4-methylphenyl)-1-pentanone
CID 205601
N-Ethylhexedrone
CID 134822125
(S)-(-)-Methcathinone
CID 22815141
3-Bromomethcathinone
CID 10354356
2-(N-tert-Butylamino)-3'-bromopropiophenone
CID 3031062
1-(4-Bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one (CID 45141380) is 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one is CC(NC1CCCC1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one?
The InChIKey is ZZWUEOYQVWAKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one?
1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one has a molecular weight of 296.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(cyclopentylamino)propan-1-one is sourced from PubChem (CID 45141380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).