N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine

C25H24ClFN2 — CID 25147051

IUPACN-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine
SMILESCN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1
InChIInChI=1S/C25H24ClFN2/c1-28(17-19-6-4-8-21(26)16-19)15-5-7-20-18-29(23-13-11-22(27)12-14-23)25-10-3-2-9-24(20)25/h2-4,6,8-14,16,18H,5,7,15,17H2,1H3
InChIKeyVWJYZNZSHBGZIX-UHFFFAOYSA-N
MW406.93 g/mol
LogP6.49
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine

N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine (PubChem CID 25147051) has the molecular formula C25H24ClFN2 and a molecular weight of 406.93 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine
PubChem CID25147051
Molecular FormulaC25H24ClFN2
Molecular Weight406.93 g/mol
Exact Mass406.16
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine
SMILESCN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1
InChIInChI=1S/C25H24ClFN2/c1-28(17-19-6-4-8-21(26)16-19)15-5-7-20-18-29(23-13-11-22(27)12-14-23)25-10-3-2-9-24(20)25/h2-4,6,8-14,16,18H,5,7,15,17H2,1H3
InChIKeyVWJYZNZSHBGZIX-UHFFFAOYSA-N
XLogP6.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.93
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine (CID 25147051) is N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine is CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine?
The InChIKey is VWJYZNZSHBGZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2/c1-28(17-19-6-4-8-21(26)16-19)15-5-7-20-18-29(23-13-11-22(27)12-14-23)25-10-3-2-9-24(20)25/h2-4,6,8-14,16,18H,5,7,15,17H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine?
N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine has a molecular weight of 406.93 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)indol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 25147051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).