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

C17H19BrFNO — CID 29224737

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCCOc1ccc(Br)cc1CNCc1ccc(F)cc1
InChIInChI=1S/C17H19BrFNO/c1-2-9-21-17-8-5-15(18)10-14(17)12-20-11-13-3-6-16(19)7-4-13/h3-8,10,20H,2,9,11-12H2,1H3
InChIKeyHAEJEXCNYUJKHY-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.67
Rot. Bonds7

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

N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 29224737) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID29224737
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCCOc1ccc(Br)cc1CNCc1ccc(F)cc1
InChIInChI=1S/C17H19BrFNO/c1-2-9-21-17-8-5-15(18)10-14(17)12-20-11-13-3-6-16(19)7-4-13/h3-8,10,20H,2,9,11-12H2,1H3
InChIKeyHAEJEXCNYUJKHY-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 2983714
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583
N-[(5-bromo-2-propoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 29224828
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524190
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289926
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine (CID 29224737) is N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine is CCCOc1ccc(Br)cc1CNCc1ccc(F)cc1.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is HAEJEXCNYUJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-2-9-21-17-8-5-15(18)10-14(17)12-20-11-13-3-6-16(19)7-4-13/h3-8,10,20H,2,9,11-12H2,1H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 352.25 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 29224737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).