[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol

C12H15BrFNO — CID 115243408

IUPAC[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCN(CC1(CO)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-15(7-12(8-16)4-5-12)11-6-9(13)2-3-10(11)14/h2-3,6,16H,4-5,7-8H2,1H3
InChIKeyAIYBQVNQDMTTFB-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.80
Rot. Bonds4

About [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol

[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243408) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol
PubChem CID115243408
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCN(CC1(CO)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-15(7-12(8-16)4-5-12)11-6-9(13)2-3-10(11)14/h2-3,6,16H,4-5,7-8H2,1H3
InChIKeyAIYBQVNQDMTTFB-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242863
[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243413
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylaniline
CID 115214767
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182970
[1-[(3-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
[1-[(N,2,4,6-tetramethylanilino)methyl]cyclopropyl]methanol
CID 115243342
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115272674

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol (CID 115243408) is [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol is CN(CC1(CO)CC1)c1cc(Br)ccc1F.
What is the InChIKey of [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol?
The InChIKey is AIYBQVNQDMTTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-15(7-12(8-16)4-5-12)11-6-9(13)2-3-10(11)14/h2-3,6,16H,4-5,7-8H2,1H3.
What are the key properties of [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol?
[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).