1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine

C11H13ClFN — CID 83689412

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H13ClFN/c1-14-11(4-5-11)7-8-6-9(13)2-3-10(8)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyNRRPSBWDKKBIRB-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.77
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine

1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine (PubChem CID 83689412) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
PubChem CID83689412
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H13ClFN/c1-14-11(4-5-11)7-8-6-9(13)2-3-10(8)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyNRRPSBWDKKBIRB-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 83688380
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 102621060
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
1-[(2-chloro-5-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 102617456
3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 102622008

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine (CID 83689412) is 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine is CNC1(Cc2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is NRRPSBWDKKBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-14-11(4-5-11)7-8-6-9(13)2-3-10(8)12/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 83689412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).