N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine

C11H13BrFN — CID 43364189

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
SMILESFc1cc(Br)ccc1CNCC1CC1
InChIInChI=1S/C11H13BrFN/c12-10-4-3-9(11(13)5-10)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2
InChIKeyNKEOUDQKJXSOCU-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.09
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine

N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine (PubChem CID 43364189) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
PubChem CID43364189
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
SMILESFc1cc(Br)ccc1CNCC1CC1
InChIInChI=1S/C11H13BrFN/c12-10-4-3-9(11(13)5-10)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2
InChIKeyNKEOUDQKJXSOCU-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
N-[(5-bromo-2-fluorophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131948
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 106133058

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine (CID 43364189) is N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine is Fc1cc(Br)ccc1CNCC1CC1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine?
The InChIKey is NKEOUDQKJXSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-10-4-3-9(11(13)5-10)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine has a molecular weight of 258.13 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 43364189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).