N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline

C17H18FNO — CID 43763348

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1ccc(C(Nc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C17H18FNO/c1-20-14-10-8-13(9-11-14)17(12-6-7-12)19-16-5-3-2-4-15(16)18/h2-5,8-12,17,19H,6-7H2,1H3
InChIKeyLLQFFYWBLPQTPG-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.40
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline (PubChem CID 43763348) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
PubChem CID43763348
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1ccc(C(Nc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C17H18FNO/c1-20-14-10-8-13(9-11-14)17(12-6-7-12)19-16-5-3-2-4-15(16)18/h2-5,8-12,17,19H,6-7H2,1H3
InChIKeyLLQFFYWBLPQTPG-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230
2-bromo-5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 81267879
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline (CID 43763348) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline is COc1ccc(C(Nc2ccccc2F)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline?
The InChIKey is LLQFFYWBLPQTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-14-10-8-13(9-11-14)17(12-6-7-12)19-16-5-3-2-4-15(16)18/h2-5,8-12,17,19H,6-7H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline has a molecular weight of 271.34 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43763348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).