1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine

C15H22BrF2NO — CID 103149935

IUPAC1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1ccccc1Br
InChIInChI=1S/C15H22BrF2NO/c1-2-8-19-13(7-9-20-11-15(17)18)10-12-5-3-4-6-14(12)16/h3-6,13,15,19H,2,7-11H2,1H3
InChIKeyNKRPBDSFQAEPCC-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.03
Rot. Bonds10

About 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine

1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine (PubChem CID 103149935) has the molecular formula C15H22BrF2NO and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
PubChem CID103149935
Molecular FormulaC15H22BrF2NO
Molecular Weight350.25 g/mol
Exact Mass349.09
IUPAC Name1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1ccccc1Br
InChIInChI=1S/C15H22BrF2NO/c1-2-8-19-13(7-9-20-11-15(17)18)10-12-5-3-4-6-14(12)16/h3-6,13,15,19H,2,7-11H2,1H3
InChIKeyNKRPBDSFQAEPCC-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.03
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)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine 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

4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136270
1-(4-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149952
1-(2-bromo-4-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105136340
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 107309180
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine (CID 103149935) is 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine is CCCNC(CCOCC(F)F)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
The InChIKey is NKRPBDSFQAEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2NO/c1-2-8-19-13(7-9-20-11-15(17)18)10-12-5-3-4-6-14(12)16/h3-6,13,15,19H,2,7-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine has a molecular weight of 350.25 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 103149935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).