2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline

C16H19IN2 — CID 10316689

IUPAC2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline
SMILESCN(C)Cc1ccccc1Cc1ccc([125I])cc1N
InChIInChI=1S/C16H19IN2/c1-19(2)11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h3-8,10H,9,11,18H2,1-2H3/i17-2
InChIKeyBRZFVBLWHJLYPD-QZIRHQCUSA-N
MW364.25 g/mol
LogP3.53
Rot. Bonds4

About 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline

2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline (PubChem CID 10316689) has the molecular formula C16H19IN2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline
PubChem CID10316689
Molecular FormulaC16H19IN2
Molecular Weight364.25 g/mol
Exact Mass364.06
IUPAC Name2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline
SMILESCN(C)Cc1ccccc1Cc1ccc([125I])cc1N
InChIInChI=1S/C16H19IN2/c1-19(2)11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h3-8,10H,9,11,18H2,1-2H3/i17-2
InChIKeyBRZFVBLWHJLYPD-QZIRHQCUSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 53.53
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-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline
CID 11164446
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
CID 174458688
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
5-(aminomethyl)-2-[(dimethylamino)methyl]aniline
CID 82503671
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-4-(123I)iodo(123I)aniline
CID 11859067
3-amino-4-[(dimethylamino)methyl]benzoic acid
CID 23009719
2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine
CID 139658907
CID 138974220
CID 138974220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline (CID 10316689) is 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline is CN(C)Cc1ccccc1Cc1ccc([125I])cc1N.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline?
The InChIKey is BRZFVBLWHJLYPD-QZIRHQCUSA-N. The full InChI is InChI=1S/C16H19IN2/c1-19(2)11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h3-8,10H,9,11,18H2,1-2H3/i17-2.
What are the key properties of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline?
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline has a molecular weight of 364.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline is sourced from PubChem (CID 10316689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).