N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine

C13H17ClFN — CID 115695890

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
SMILESCC(CNCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C13H17ClFN/c1-9(10-5-6-10)7-16-8-11-3-2-4-12(14)13(11)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyJAPAOIDNSZMZLE-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.61
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine

N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine (PubChem CID 115695890) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
PubChem CID115695890
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine
SMILESCC(CNCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C13H17ClFN/c1-9(10-5-6-10)7-16-8-11-3-2-4-12(14)13(11)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyJAPAOIDNSZMZLE-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 115695888
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115696018
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
CID 115592592
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
CID 130299585
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine (CID 115695890) is N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine is CC(CNCc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine?
The InChIKey is JAPAOIDNSZMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(10-5-6-10)7-16-8-11-3-2-4-12(14)13(11)15/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 115695890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).