N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine

C17H16BrF2N — CID 61015900

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(C(NCc2cc(F)ccc2Br)C2CC2)cc1
InChIInChI=1S/C17H16BrF2N/c18-16-8-7-15(20)9-13(16)10-21-17(11-1-2-11)12-3-5-14(19)6-4-12/h3-9,11,17,21H,1-2,10H2
InChIKeyYGXINOOVRHSULN-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.97
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine (PubChem CID 61015900) has the molecular formula C17H16BrF2N and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
PubChem CID61015900
Molecular FormulaC17H16BrF2N
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(C(NCc2cc(F)ccc2Br)C2CC2)cc1
InChIInChI=1S/C17H16BrF2N/c18-16-8-7-15(20)9-13(16)10-21-17(11-1-2-11)12-3-5-14(19)6-4-12/h3-9,11,17,21H,1-2,10H2
InChIKeyYGXINOOVRHSULN-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 ≤ 500352.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 63452373
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 43233418
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
CID 54902136
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine (CID 61015900) is N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine is Fc1ccc(C(NCc2cc(F)ccc2Br)C2CC2)cc1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The InChIKey is YGXINOOVRHSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N/c18-16-8-7-15(20)9-13(16)10-21-17(11-1-2-11)12-3-5-14(19)6-4-12/h3-9,11,17,21H,1-2,10H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine has a molecular weight of 352.22 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-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 61015900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).