4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline

C18H19BrFN — CID 81287071

IUPAC4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19BrFN/c1-2-12-11-15(19)7-10-17(12)21-18(13-3-4-13)14-5-8-16(20)9-6-14/h5-11,13,18,21H,2-4H2,1H3
InChIKeyRRXGOCAAXMKWDT-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.71
Rot. Bonds5

About 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline

4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline (PubChem CID 81287071) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline
PubChem CID81287071
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19BrFN/c1-2-12-11-15(19)7-10-17(12)21-18(13-3-4-13)14-5-8-16(20)9-6-14/h5-11,13,18,21H,2-4H2,1H3
InChIKeyRRXGOCAAXMKWDT-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline 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-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 63449370
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
4-bromo-2,3-dichloro-N-[cyclopropyl-(4-fluorophenyl)methyl]aniline
CID 107787702
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448207
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline?
The IUPAC name of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline (CID 81287071) is 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline.
What is the SMILES notation for 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline?
The canonical SMILES for 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline is CCc1cc(Br)ccc1NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline?
The InChIKey is RRXGOCAAXMKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-2-12-11-15(19)7-10-17(12)21-18(13-3-4-13)14-5-8-16(20)9-6-14/h5-11,13,18,21H,2-4H2,1H3.
What are the key properties of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline?
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline has a molecular weight of 348.26 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 81287071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).