2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine

C16H16FN3 — CID 174319324

IUPAC2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
SMILESNC=C(/C=N/c1ccc(F)cc1)c1cccc(CN)c1
InChIInChI=1S/C16H16FN3/c17-15-4-6-16(7-5-15)20-11-14(10-19)13-3-1-2-12(8-13)9-18/h1-8,10-11H,9,18-19H2/b14-10?,20-11+
InChIKeyNOBIIRNVTOTXQH-RWVHIZRYSA-N
MW269.32 g/mol
LogP2.99
Rot. Bonds4

About 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine

2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine (PubChem CID 174319324) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
PubChem CID174319324
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
SMILESNC=C(/C=N/c1ccc(F)cc1)c1cccc(CN)c1
InChIInChI=1S/C16H16FN3/c17-15-4-6-16(7-5-15)20-11-14(10-19)13-3-1-2-12(8-13)9-18/h1-8,10-11H,9,18-19H2/b14-10?,20-11+
InChIKeyNOBIIRNVTOTXQH-RWVHIZRYSA-N
XLogP2.99
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
CID 174319993
(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 170714570
tert-butyl N-[2-[3-[1-amino-3-(4-fluorophenyl)iminoprop-1-en-2-yl]phenyl]ethyl]carbamate
CID 174319772
1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
CID 174940425
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 62995433
[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
CID 130564880
ethane;(4-fluorophenyl)methanamine
CID 142071105
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
[3-[1-[[(E)-2-bromobut-2-enylidene]amino]ethenyl]phenyl]methanamine
CID 143940090
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine (CID 174319324) is 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine is NC=C(/C=N/c1ccc(F)cc1)c1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
The InChIKey is NOBIIRNVTOTXQH-RWVHIZRYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-15-4-6-16(7-5-15)20-11-14(10-19)13-3-1-2-12(8-13)9-18/h1-8,10-11H,9,18-19H2/b14-10?,20-11+.
What are the key properties of 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine has a molecular weight of 269.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine is sourced from PubChem (CID 174319324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).