N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline

C18H17FN2 — CID 63445707

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
SMILESCc1cc(F)ccc1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C18H17FN2/c1-14-11-16(19)8-7-15(14)13-20-17-5-4-6-18(12-17)21-9-2-3-10-21/h2-12,20H,13H2,1H3
InChIKeyMXNDFSZOSKQURS-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.54
Rot. Bonds4

About N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline

N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 63445707) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
PubChem CID63445707
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
SMILESCc1cc(F)ccc1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C18H17FN2/c1-14-11-16(19)8-7-15(14)13-20-17-5-4-6-18(12-17)21-9-2-3-10-21/h2-12,20H,13H2,1H3
InChIKeyMXNDFSZOSKQURS-UHFFFAOYSA-N
XLogP4.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
N-[(2,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691916
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
2-[3-[(4-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 62136451
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline (CID 63445707) is N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline is Cc1cc(F)ccc1CNc1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is MXNDFSZOSKQURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-14-11-16(19)8-7-15(14)13-20-17-5-4-6-18(12-17)21-9-2-3-10-21/h2-12,20H,13H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline?
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 280.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 63445707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).