N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine

C17H19BrFNO — CID 43489424

IUPACN-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-20-17(15-11-13(18)7-10-16(15)19)12-5-8-14(9-6-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyKMPYAZRDHDUQDZ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.69
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine

N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 43489424) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
PubChem CID43489424
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-20-17(15-11-13(18)7-10-16(15)19)12-5-8-14(9-6-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyKMPYAZRDHDUQDZ-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879
N-[(5-bromo-2-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 79743205
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine (CID 43489424) is N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is KMPYAZRDHDUQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-20-17(15-11-13(18)7-10-16(15)19)12-5-8-14(9-6-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).