N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

C16H17FN2 — CID 122134073

IUPACN-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
SMILESFc1ccc(CN(Cc2ccncc2)C2CC2)cc1
InChIInChI=1S/C16H17FN2/c17-15-3-1-13(2-4-15)11-19(16-5-6-16)12-14-7-9-18-10-8-14/h1-4,7-10,16H,5-6,11-12H2
InChIKeyJWTWZKIHSCMLKF-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.39
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine (PubChem CID 122134073) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
PubChem CID122134073
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
SMILESFc1ccc(CN(Cc2ccncc2)C2CC2)cc1
InChIInChI=1S/C16H17FN2/c17-15-3-1-13(2-4-15)11-19(16-5-6-16)12-14-7-9-18-10-8-14/h1-4,7-10,16H,5-6,11-12H2
InChIKeyJWTWZKIHSCMLKF-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 59862645
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 50968510
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 77084818
N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 56919076
4-[[(2-chloro-5-fluorophenyl)methyl-cyclopropylamino]methyl]aniline
CID 102616422
ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
CID 60697552

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine (CID 122134073) is N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine is Fc1ccc(CN(Cc2ccncc2)C2CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The InChIKey is JWTWZKIHSCMLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-15-3-1-13(2-4-15)11-19(16-5-6-16)12-14-7-9-18-10-8-14/h1-4,7-10,16H,5-6,11-12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine has a molecular weight of 256.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 122134073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).