4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

C12H16FIN2O — CID 66100285

IUPAC4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1CCCO1)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H16FIN2O/c1-16(7-8-3-2-4-17-8)12-5-9(13)10(14)6-11(12)15/h5-6,8H,2-4,7,15H2,1H3
InChIKeyNXNSMKSELBFNNY-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.63
Rot. Bonds3

About 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 66100285) has the molecular formula C12H16FIN2O and a molecular weight of 350.18 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
PubChem CID66100285
Molecular FormulaC12H16FIN2O
Molecular Weight350.18 g/mol
Exact Mass350.03
IUPAC Name4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1CCCO1)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H16FIN2O/c1-16(7-8-3-2-4-17-8)12-5-9(13)10(14)6-11(12)15/h5-6,8H,2-4,7,15H2,1H3
InChIKeyNXNSMKSELBFNNY-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 63592689
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63077663
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741706
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
6-N-methyl-6-N-(oxan-2-ylmethyl)-1H-indazole-5,6-diamine
CID 107489292
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (CID 66100285) is 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is CN(CC1CCCO1)c1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is NXNSMKSELBFNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2O/c1-16(7-8-3-2-4-17-8)12-5-9(13)10(14)6-11(12)15/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 350.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 66100285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).