4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine

C18H21BrFN — CID 64501827

IUPAC4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C18H21BrFN/c1-2-21-18(15-7-4-3-5-8-15)10-6-9-14-11-12-16(20)13-17(14)19/h3-5,7-8,11-13,18,21H,2,6,9-10H2,1H3
InChIKeyIHERLVSZHFJXQF-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.26
Rot. Bonds7

About 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine

4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine (PubChem CID 64501827) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
PubChem CID64501827
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C18H21BrFN/c1-2-21-18(15-7-4-3-5-8-15)10-6-9-14-11-12-16(20)13-17(14)19/h3-5,7-8,11-13,18,21H,2,6,9-10H2,1H3
InChIKeyIHERLVSZHFJXQF-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106646599
3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106763459
2-bromo-1-(4-bromopentyl)-4-fluorobenzene
CID 64508019
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine (CID 64501827) is 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine is CCNC(CCCc1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The InChIKey is IHERLVSZHFJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-2-21-18(15-7-4-3-5-8-15)10-6-9-14-11-12-16(20)13-17(14)19/h3-5,7-8,11-13,18,21H,2,6,9-10H2,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64501827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).