1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine

C17H17BrFNO — CID 79723538

IUPAC1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)C1CCOc2ccccc21
InChIInChI=1S/C17H17BrFNO/c1-20-17(11-6-7-15(19)14(18)10-11)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17,20H,8-9H2,1H3
InChIKeyAHNWWIHBHSMQTB-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.41
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (PubChem CID 79723538) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
PubChem CID79723538
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)C1CCOc2ccccc21
InChIInChI=1S/C17H17BrFNO/c1-20-17(11-6-7-15(19)14(18)10-11)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17,20H,8-9H2,1H3
InChIKeyAHNWWIHBHSMQTB-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 79746928
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107129103
[3,4-dihydro-2H-chromen-4-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105233881
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65411645
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710116
1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410669
2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65410469

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (CID 79723538) is 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is CNC(c1ccc(F)c(Br)c1)C1CCOc2ccccc21.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The InChIKey is AHNWWIHBHSMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20-17(11-6-7-15(19)14(18)10-11)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17,20H,8-9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine has a molecular weight of 350.23 g/mol, XLogP of 4.41, 3 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)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is sourced from PubChem (CID 79723538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).