1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine

C17H17BrFNO — CID 105051704

IUPAC1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1cc(F)ccc1Br
InChIInChI=1S/C17H17BrFNO/c1-20-17(15-10-12(19)5-8-16(15)18)11-3-2-4-14(9-11)21-13-6-7-13/h2-5,8-10,13,17,20H,6-7H2,1H3
InChIKeyMJPOMNNQOXLPAQ-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine

1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine (PubChem CID 105051704) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
PubChem CID105051704
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1cc(F)ccc1Br
InChIInChI=1S/C17H17BrFNO/c1-20-17(15-10-12(19)5-8-16(15)18)11-3-2-4-14(9-11)21-13-6-7-13/h2-5,8-10,13,17,20H,6-7H2,1H3
InChIKeyMJPOMNNQOXLPAQ-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-cyclopropyloxyphenyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211726
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114521568
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
[(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283657
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105188536
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802
1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066138
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine (CID 105051704) is 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC2CC2)c1)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
The InChIKey is MJPOMNNQOXLPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20-17(15-10-12(19)5-8-16(15)18)11-3-2-4-14(9-11)21-13-6-7-13/h2-5,8-10,13,17,20H,6-7H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine has a molecular weight of 350.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105051704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).