N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine

C16H15ClFN — CID 115504969

IUPACN-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(-c2ccccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H15ClFN/c17-16-9-12(18)5-8-15(16)14-4-2-1-3-11(14)10-19-13-6-7-13/h1-5,8-9,13,19H,6-7,10H2
InChIKeyKUOBKDVVVOYJBQ-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.40
Rot. Bonds4

About N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 115504969) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID115504969
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(-c2ccccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H15ClFN/c17-16-9-12(18)5-8-15(16)14-4-2-1-3-11(14)10-19-13-6-7-13/h1-5,8-9,13,19H,6-7,10H2
InChIKeyKUOBKDVVVOYJBQ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 115484384
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138
N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
CID 63424961
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183911
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine (CID 115504969) is N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine is Fc1ccc(-c2ccccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is KUOBKDVVVOYJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-16-9-12(18)5-8-15(16)14-4-2-1-3-11(14)10-19-13-6-7-13/h1-5,8-9,13,19H,6-7,10H2.
What are the key properties of N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 275.75 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115504969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).