N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine

C18H19BrFN — CID 106645549

IUPACN-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19BrFN/c1-2-21-17(14-9-6-10-15(19)16(14)20)18(11-12-18)13-7-4-3-5-8-13/h3-10,17,21H,2,11-12H2,1H3
InChIKeyJBJAZBUPCHZPCS-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.97
Rot. Bonds5

About N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 106645549) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID106645549
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H19BrFN/c1-2-21-17(14-9-6-10-15(19)16(14)20)18(11-12-18)13-7-4-3-5-8-13/h3-10,17,21H,2,11-12H2,1H3
InChIKeyJBJAZBUPCHZPCS-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837
N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
CID 79590126
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(5-bromo-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 79991864
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82791632
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine (CID 106645549) is N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine is CCNC(c1cccc(Br)c1F)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is JBJAZBUPCHZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-2-21-17(14-9-6-10-15(19)16(14)20)18(11-12-18)13-7-4-3-5-8-13/h3-10,17,21H,2,11-12H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 348.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 106645549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).