N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline

C19H22FN — CID 43760606

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C19H22FN/c1-13(2)14-7-11-18(12-8-14)21-19(15-3-4-15)16-5-9-17(20)10-6-16/h5-13,15,19,21H,3-4H2,1-2H3
InChIKeyPRMMIYXNSKTKPL-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.51
Rot. Bonds5

About N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline (PubChem CID 43760606) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
PubChem CID43760606
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C19H22FN/c1-13(2)14-7-11-18(12-8-14)21-19(15-3-4-15)16-5-9-17(20)10-6-16/h5-13,15,19,21H,3-4H2,1-2H3
InChIKeyPRMMIYXNSKTKPL-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
CID 64794069
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 43776718
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 19772106
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline (CID 43760606) is N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NC(c2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline?
The InChIKey is PRMMIYXNSKTKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13(2)14-7-11-18(12-8-14)21-19(15-3-4-15)16-5-9-17(20)10-6-16/h5-13,15,19,21H,3-4H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline?
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline has a molecular weight of 283.39 g/mol, XLogP of 5.51, 5 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-propan-2-ylaniline is sourced from PubChem (CID 43760606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).