2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine

C16H18FIN2 — CID 66102006

IUPAC2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(F)c(I)cc1N
InChIInChI=1S/C16H18FIN2/c1-11(2)20(10-12-6-4-3-5-7-12)16-8-13(17)14(18)9-15(16)19/h3-9,11H,10,19H2,1-2H3
InChIKeyZNJRCGPZERVOQN-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.43
Rot. Bonds4

About 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine

2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine (PubChem CID 66102006) has the molecular formula C16H18FIN2 and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine
PubChem CID66102006
Molecular FormulaC16H18FIN2
Molecular Weight384.24 g/mol
Exact Mass384.05
IUPAC Name2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(F)c(I)cc1N
InChIInChI=1S/C16H18FIN2/c1-11(2)20(10-12-6-4-3-5-7-12)16-8-13(17)14(18)9-15(16)19/h3-9,11H,10,19H2,1-2H3
InChIKeyZNJRCGPZERVOQN-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
N-benzyl-3-fluoro-2-nitro-N-propan-2-ylaniline
CID 62665423
1-N-benzyl-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66079317
1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554
2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
CID 66102264
2-[benzyl(propan-2-yl)amino]benzonitrile
CID 29273370
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine (CID 66102006) is 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine is CC(C)N(Cc1ccccc1)c1cc(F)c(I)cc1N.
What is the InChIKey of 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine?
The InChIKey is ZNJRCGPZERVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FIN2/c1-11(2)20(10-12-6-4-3-5-7-12)16-8-13(17)14(18)9-15(16)19/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine?
2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine has a molecular weight of 384.24 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 66102006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).