N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide

C19H25FN4 — CID 142128210

IUPACN'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide
SMILESCCCNc1c(F)cccc1C(C)/N=C(\N)c1ccccc1NC
InChIInChI=1S/C19H25FN4/c1-4-12-23-18-14(9-7-10-16(18)20)13(2)24-19(21)15-8-5-6-11-17(15)22-3/h5-11,13,22-23H,4,12H2,1-3H3,(H2,21,24)
InChIKeyMKHPARRHAPLFAE-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.16
Rot. Bonds7

About N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide

N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide (PubChem CID 142128210) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide
PubChem CID142128210
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC NameN'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide
SMILESCCCNc1c(F)cccc1C(C)/N=C(\N)c1ccccc1NC
InChIInChI=1S/C19H25FN4/c1-4-12-23-18-14(9-7-10-16(18)20)13(2)24-19(21)15-8-5-6-11-17(15)22-3/h5-11,13,22-23H,4,12H2,1-3H3,(H2,21,24)
InChIKeyMKHPARRHAPLFAE-UHFFFAOYSA-N
XLogP4.16
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-propylaniline
CID 21161523
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
CID 62364214
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-amino-N-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentene-1-carboximidamide
CID 142127464

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide?
The IUPAC name of N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide (CID 142128210) is N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide.
What is the SMILES notation for N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide?
The canonical SMILES for N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide is CCCNc1c(F)cccc1C(C)/N=C(\N)c1ccccc1NC.
What is the InChIKey of N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide?
The InChIKey is MKHPARRHAPLFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-4-12-23-18-14(9-7-10-16(18)20)13(2)24-19(21)15-8-5-6-11-17(15)22-3/h5-11,13,22-23H,4,12H2,1-3H3,(H2,21,24).
What are the key properties of N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide?
N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide has a molecular weight of 328.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-fluoro-2-(propylamino)phenyl]ethyl]-2-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 142128210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).