N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine

C14H17ClFN — CID 81156213

IUPACN-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
SMILESCC/C(=C/c1ccc(F)c(Cl)c1)CNC1CC1
InChIInChI=1S/C14H17ClFN/c1-2-10(9-17-12-4-5-12)7-11-3-6-14(16)13(15)8-11/h3,6-8,12,17H,2,4-5,9H2,1H3/b10-7-
InChIKeyXQWMGSWCJWXUNK-YFHOEESVSA-N
MW253.75 g/mol
LogP4.02
Rot. Bonds5

About N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine

N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine (PubChem CID 81156213) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
PubChem CID81156213
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC NameN-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
SMILESCC/C(=C/c1ccc(F)c(Cl)c1)CNC1CC1
InChIInChI=1S/C14H17ClFN/c1-2-10(9-17-12-4-5-12)7-11-3-6-14(16)13(15)8-11/h3,6-8,12,17H,2,4-5,9H2,1H3/b10-7-
InChIKeyXQWMGSWCJWXUNK-YFHOEESVSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
CID 79329589
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146
(2E)-2-[(3-chloro-4-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 81155944
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
CID 114077256
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
(E)-4-(3-chloro-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090853
N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine
CID 79330415

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine (CID 81156213) is N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine is CC/C(=C/c1ccc(F)c(Cl)c1)CNC1CC1.
What is the InChIKey of N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is XQWMGSWCJWXUNK-YFHOEESVSA-N. The full InChI is InChI=1S/C14H17ClFN/c1-2-10(9-17-12-4-5-12)7-11-3-6-14(16)13(15)8-11/h3,6-8,12,17H,2,4-5,9H2,1H3/b10-7-.
What are the key properties of N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine?
N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 253.75 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 81156213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).