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

C13H17ClFN — CID 115762374

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCc1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFN/c1-9(6-10-2-3-10)16-8-11-7-12(14)4-5-13(11)15/h4-5,7,9-10,16H,2-3,6,8H2,1H3
InChIKeyOWHIKJZDMBTFCL-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.76
Rot. Bonds5

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

N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine (PubChem CID 115762374) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
PubChem CID115762374
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCc1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFN/c1-9(6-10-2-3-10)16-8-11-7-12(14)4-5-13(11)15/h4-5,7,9-10,16H,2-3,6,8H2,1H3
InChIKeyOWHIKJZDMBTFCL-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
N-[(5-chloro-2-fluorophenyl)methyl]pent-4-en-2-amine
CID 115762436
4-chloro-N-[(5-chloro-2-fluorophenyl)methyl]butan-2-amine
CID 103050046
3-[(5-chloro-2-fluorophenyl)methylamino]butanenitrile
CID 104586886
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
4-[(1-cyclopropylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 63989718
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 114842197
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine (CID 115762374) is N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The InChIKey is OWHIKJZDMBTFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(6-10-2-3-10)16-8-11-7-12(14)4-5-13(11)15/h4-5,7,9-10,16H,2-3,6,8H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine has a molecular weight of 241.74 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 115762374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).