(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine

C17H19BrFNO — CID 104657808

IUPAC(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(F)c(C)c2)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-3-8-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15(19)11(2)9-12/h4-7,9-10,17H,3,8,20H2,1-2H3
InChIKeyUTXAEPCPEXZYIQ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.73
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine

(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 104657808) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID104657808
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(F)c(C)c2)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-3-8-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15(19)11(2)9-12/h4-7,9-10,17H,3,8,20H2,1-2H3
InChIKeyUTXAEPCPEXZYIQ-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-propoxyphenyl)-(4-iodophenyl)methanamine
CID 104657896
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
CID 104657901
(3-bromo-4-propoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950919
(3-bromo-4-propoxyphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220581
2-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-1-propoxybenzene
CID 104662049
(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
CID 104657790
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
1-bromo-4-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2-methylbenzene
CID 104661898
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
1-(3-bromo-4-propoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 104657853

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine (CID 104657808) is (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine is CCCOc1ccc(C(N)c2ccc(F)c(C)c2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is UTXAEPCPEXZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-8-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15(19)11(2)9-12/h4-7,9-10,17H,3,8,20H2,1-2H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine?
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 352.25 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 104657808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).