1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine

C15H14BrClFNO — CID 43480336

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C15H14BrClFNO/c1-19-14(9-3-5-11(18)6-4-9)12-7-10(17)8-13(16)15(12)20-2/h3-8,14,19H,1-2H3
InChIKeyAGEWVRRKTMGSAV-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 43480336) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID43480336
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C15H14BrClFNO/c1-19-14(9-3-5-11(18)6-4-9)12-7-10(17)8-13(16)15(12)20-2/h3-8,14,19H,1-2H3
InChIKeyAGEWVRRKTMGSAV-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43480322
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107960613
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
1-bromo-3-[bromo-(3,4-difluorophenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435640
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 43480336) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is AGEWVRRKTMGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-19-14(9-3-5-11(18)6-4-9)12-7-10(17)8-13(16)15(12)20-2/h3-8,14,19H,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43480336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).