N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride

C16H18BrClFNO — CID 2983714

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C16H17BrFNO.ClH/c1-2-20-16-8-5-14(17)9-13(16)11-19-10-12-3-6-15(18)7-4-12;/h3-9,19H,2,10-11H2,1H3;1H
InChIKeyYDRWQVQDUKHZEW-UHFFFAOYSA-N
MW374.68 g/mol
LogP4.70
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride

N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride (PubChem CID 2983714) has the molecular formula C16H18BrClFNO and a molecular weight of 374.68 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
PubChem CID2983714
Molecular FormulaC16H18BrClFNO
Molecular Weight374.68 g/mol
Exact Mass373.02
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
SMILESCCOc1ccc(Br)cc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C16H17BrFNO.ClH/c1-2-20-16-8-5-14(17)9-13(16)11-19-10-12-3-6-15(18)7-4-12;/h3-9,19H,2,10-11H2,1H3;1H
InChIKeyYDRWQVQDUKHZEW-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.68
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29224737
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[(2-ethoxy-5-nitrophenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 47091112
1-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 17291869
N'-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17295184
N-[(2,4-diethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803870
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332479
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291422
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332630
2-[2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720668

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride (CID 2983714) is N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride is CCOc1ccc(Br)cc1CNCc1ccc(F)cc1.Cl.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The InChIKey is YDRWQVQDUKHZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO.ClH/c1-2-20-16-8-5-14(17)9-13(16)11-19-10-12-3-6-15(18)7-4-12;/h3-9,19H,2,10-11H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride has a molecular weight of 374.68 g/mol, XLogP of 4.70, 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-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 2983714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).