N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine

C25H26F2N2 — CID 66616571

IUPACN-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(CNCc3ccc(F)cc3)cc(C3CC3)c2)cc1
InChIInChI=1S/C25H26F2N2/c26-24-7-1-18(2-8-24)14-28-16-20-11-21(13-23(12-20)22-5-6-22)17-29-15-19-3-9-25(27)10-4-19/h1-4,7-13,22,28-29H,5-6,14-17H2
InChIKeyYISOCPDNRZRMNJ-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.42
Rot. Bonds9

About N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine

N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 66616571) has the molecular formula C25H26F2N2 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID66616571
Molecular FormulaC25H26F2N2
Molecular Weight392.49 g/mol
Exact Mass392.21
IUPAC NameN-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(CNCc3ccc(F)cc3)cc(C3CC3)c2)cc1
InChIInChI=1S/C25H26F2N2/c26-24-7-1-18(2-8-24)14-28-16-20-11-21(13-23(12-20)22-5-6-22)17-29-15-19-3-9-25(27)10-4-19/h1-4,7-13,22,28-29H,5-6,14-17H2
InChIKeyYISOCPDNRZRMNJ-UHFFFAOYSA-N
XLogP5.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
N-[(2-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 79889960
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754
4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile
CID 79979512
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748

Frequently Asked Questions

What is the IUPAC name of N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine (CID 66616571) is N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2cc(CNCc3ccc(F)cc3)cc(C3CC3)c2)cc1.
What is the InChIKey of N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is YISOCPDNRZRMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2/c26-24-7-1-18(2-8-24)14-28-16-20-11-21(13-23(12-20)22-5-6-22)17-29-15-19-3-9-25(27)10-4-19/h1-4,7-13,22,28-29H,5-6,14-17H2.
What are the key properties of N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 392.49 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 66616571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).