N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline

C16H15F2N — CID 43763011

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C16H15F2N/c17-13-5-3-12(4-6-13)16(11-1-2-11)19-15-9-7-14(18)8-10-15/h3-11,16,19H,1-2H2
InChIKeySMEUGKHSRVHKBK-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.53
Rot. Bonds4

About N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline (PubChem CID 43763011) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
PubChem CID43763011
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C16H15F2N/c17-13-5-3-12(4-6-13)16(11-1-2-11)19-15-9-7-14(18)8-10-15/h3-11,16,19H,1-2H2
InChIKeySMEUGKHSRVHKBK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
CID 64794069
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 43776718
4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 19772106
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803874
[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
CID 19771949
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline (CID 43763011) is N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline is Fc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
The InChIKey is SMEUGKHSRVHKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-13-5-3-12(4-6-13)16(11-1-2-11)19-15-9-7-14(18)8-10-15/h3-11,16,19H,1-2H2.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline has a molecular weight of 259.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 43763011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).