N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline

C15H15BrFN — CID 63459009

IUPACN-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c1-2-18(15-8-6-14(17)7-9-15)11-12-4-3-5-13(16)10-12/h3-10H,2,11H2,1H3
InChIKeyOQUPTEZFNXGBCF-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.61
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline

N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline (PubChem CID 63459009) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
PubChem CID63459009
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c1-2-18(15-8-6-14(17)7-9-15)11-12-4-3-5-13(16)10-12/h3-10H,2,11H2,1H3
InChIKeyOQUPTEZFNXGBCF-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylaniline
CID 79706917
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385
3-[(3-bromo-N-ethylanilino)methyl]benzenesulfonic acid
CID 21418904
N,N-diethyl-4-fluoroaniline
CID 592416
3-N-[(3-bromo-5-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 79705882
N-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-fluoroaniline
CID 63456509
[2-bromo-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155812949
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol
CID 82981518
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
CID 79706205

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline (CID 63459009) is N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline is CCN(Cc1cccc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline?
The InChIKey is OQUPTEZFNXGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-18(15-8-6-14(17)7-9-15)11-12-4-3-5-13(16)10-12/h3-10H,2,11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline?
N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline has a molecular weight of 308.19 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 63459009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).