1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

C17H19BrFNO — CID 82790188

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-11(2)21-14-7-4-12(5-8-14)17(20-3)13-6-9-16(19)15(18)10-13/h4-11,17,20H,1-3H3
InChIKeyIHWKIGVANVTUGC-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.68
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 82790188) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID82790188
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-11(2)21-14-7-4-12(5-8-14)17(20-3)13-6-9-16(19)15(18)10-13/h4-11,17,20H,1-3H3
InChIKeyIHWKIGVANVTUGC-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304152
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 115567259
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (CID 82790188) is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is CNC(c1ccc(OC(C)C)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is IHWKIGVANVTUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11(2)21-14-7-4-12(5-8-14)17(20-3)13-6-9-16(19)15(18)10-13/h4-11,17,20H,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 352.25 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 82790188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).