N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine

C18H21BrFN — CID 114887151

IUPACN-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2c(F)cccc2Br)c1
InChIInChI=1S/C18H21BrFN/c1-3-7-13-8-5-9-14(12-13)18(21-4-2)17-15(19)10-6-11-16(17)20/h5-6,8-12,18,21H,3-4,7H2,1-2H3
InChIKeyFENDHTLMTCDYOP-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.24
Rot. Bonds6

About N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine

N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 114887151) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID114887151
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2c(F)cccc2Br)c1
InChIInChI=1S/C18H21BrFN/c1-3-7-13-8-5-9-14(12-13)18(21-4-2)17-15(19)10-6-11-16(17)20/h5-6,8-12,18,21H,3-4,7H2,1-2H3
InChIKeyFENDHTLMTCDYOP-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050326
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 114559092
N-[(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 114887322
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine (CID 114887151) is N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2c(F)cccc2Br)c1.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is FENDHTLMTCDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-3-7-13-8-5-9-14(12-13)18(21-4-2)17-15(19)10-6-11-16(17)20/h5-6,8-12,18,21H,3-4,7H2,1-2H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine?
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 350.28 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 114887151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).