N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline

C18H20FN — CID 43764890

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
SMILESCc1ccc(C(Nc2ccc(F)cc2C)C2CC2)cc1
InChIInChI=1S/C18H20FN/c1-12-3-5-14(6-4-12)18(15-7-8-15)20-17-10-9-16(19)11-13(17)2/h3-6,9-11,15,18,20H,7-8H2,1-2H3
InChIKeyYKRPJUUCBIYSNP-UHFFFAOYSA-N
MW269.36 g/mol
LogP5.01
Rot. Bonds4

About N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline

N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline (PubChem CID 43764890) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
PubChem CID43764890
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
SMILESCc1ccc(C(Nc2ccc(F)cc2C)C2CC2)cc1
InChIInChI=1S/C18H20FN/c1-12-3-5-14(6-4-12)18(15-7-8-15)20-17-10-9-16(19)11-13(17)2/h3-6,9-11,15,18,20H,7-8H2,1-2H3
InChIKeyYKRPJUUCBIYSNP-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2,5-difluoroaniline
CID 107609519
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 63449370
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline (CID 43764890) is N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline is Cc1ccc(C(Nc2ccc(F)cc2C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline?
The InChIKey is YKRPJUUCBIYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-3-5-14(6-4-12)18(15-7-8-15)20-17-10-9-16(19)11-13(17)2/h3-6,9-11,15,18,20H,7-8H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline?
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline has a molecular weight of 269.36 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline is sourced from PubChem (CID 43764890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).