(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine

C16H17BrFNO — CID 79747415

IUPAC(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H17BrFNO/c1-10(2)20-13-5-3-4-11(8-13)16(19)12-6-7-15(18)14(17)9-12/h3-10,16H,19H2,1-2H3
InChIKeyJXENMEABQLFMHK-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.42
Rot. Bonds4

About (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine

(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 79747415) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID79747415
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H17BrFNO/c1-10(2)20-13-5-3-4-11(8-13)16(19)12-6-7-15(18)14(17)9-12/h3-10,16H,19H2,1-2H3
InChIKeyJXENMEABQLFMHK-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
1-[bromo-(4-chlorophenyl)methyl]-3-propan-2-yloxybenzene
CID 63436948
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 82790188
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine (CID 79747415) is (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(C(N)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is JXENMEABQLFMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10(2)20-13-5-3-4-11(8-13)16(19)12-6-7-15(18)14(17)9-12/h3-10,16H,19H2,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 338.22 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 79747415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).