N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline

C19H21FN2 — CID 73350561

IUPACN-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline
SMILESCN(CCCF)c1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C19H21FN2/c1-21(13-5-12-20)17-10-8-15(9-11-17)19-14-16-6-3-4-7-18(16)22(19)2/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyPJQNBDMVZSYNBE-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.64
Rot. Bonds5

About N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline

N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline (PubChem CID 73350561) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline
PubChem CID73350561
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC NameN-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline
SMILESCN(CCCF)c1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C19H21FN2/c1-21(13-5-12-20)17-10-8-15(9-11-17)19-14-16-6-3-4-7-18(16)22(19)2/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyPJQNBDMVZSYNBE-UHFFFAOYSA-N
XLogP4.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
The IUPAC name of N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline (CID 73350561) is N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline.
What is the SMILES notation for N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
The canonical SMILES for N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline is CN(CCCF)c1ccc(-c2cc3ccccc3n2C)cc1.
What is the InChIKey of N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
The InChIKey is PJQNBDMVZSYNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-21(13-5-12-20)17-10-8-15(9-11-17)19-14-16-6-3-4-7-18(16)22(19)2/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline?
N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline has a molecular weight of 296.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-methyl-4-(1-methylindol-2-yl)aniline is sourced from PubChem (CID 73350561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).