N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline

C18H20FN — CID 43772771

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(C(Nc2cc(C)ccc2F)C2CC2)cc1
InChIInChI=1S/C18H20FN/c1-12-3-6-14(7-4-12)18(15-8-9-15)20-17-11-13(2)5-10-16(17)19/h3-7,10-11,15,18,20H,8-9H2,1-2H3
InChIKeyJMXHMRBHCCCAKQ-UHFFFAOYSA-N
MW269.36 g/mol
LogP5.01
Rot. Bonds4

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline

N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline (PubChem CID 43772771) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
PubChem CID43772771
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(C(Nc2cc(C)ccc2F)C2CC2)cc1
InChIInChI=1S/C18H20FN/c1-12-3-6-14(7-4-12)18(15-8-9-15)20-17-11-13(2)5-10-16(17)19/h3-7,10-11,15,18,20H,8-9H2,1-2H3
InChIKeyJMXHMRBHCCCAKQ-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

4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2,5-difluoroaniline
CID 107609519
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
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
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
4-chloro-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
CID 43780543
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-6-fluoroaniline
CID 107598013

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline (CID 43772771) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline is Cc1ccc(C(Nc2cc(C)ccc2F)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is JMXHMRBHCCCAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-3-6-14(7-4-12)18(15-8-9-15)20-17-11-13(2)5-10-16(17)19/h3-7,10-11,15,18,20H,8-9H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-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]-2-fluoro-5-methylaniline is sourced from PubChem (CID 43772771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).