N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine

C17H16BrClFN — CID 60658432

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
SMILESFc1ccc(Br)cc1CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H16BrClFN/c18-14-5-8-16(20)13(9-14)10-21-17(11-1-2-11)12-3-6-15(19)7-4-12/h3-9,11,17,21H,1-2,10H2
InChIKeyBPUOEERIAYUIKN-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.48
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine (PubChem CID 60658432) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
PubChem CID60658432
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
SMILESFc1ccc(Br)cc1CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H16BrClFN/c18-14-5-8-16(20)13(9-14)10-21-17(11-1-2-11)12-3-6-15(19)7-4-12/h3-9,11,17,21H,1-2,10H2
InChIKeyBPUOEERIAYUIKN-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 43233418
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 78974964
1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114842202
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
CID 43221859
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine (CID 60658432) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine is Fc1ccc(Br)cc1CNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
The InChIKey is BPUOEERIAYUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c18-14-5-8-16(20)13(9-14)10-21-17(11-1-2-11)12-3-6-15(19)7-4-12/h3-9,11,17,21H,1-2,10H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine has a molecular weight of 368.68 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine is sourced from PubChem (CID 60658432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).