2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline

C16H19IN2 — CID 11164446

IUPAC2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline
SMILESCN(C)Cc1ccccc1Cc1ccc(I)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
InChIKeyBRZFVBLWHJLYPD-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.53
Rot. Bonds4

About 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline

2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline (PubChem CID 11164446) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline
PubChem CID11164446
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC Name2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline
SMILESCN(C)Cc1ccccc1Cc1ccc(I)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
InChIKeyBRZFVBLWHJLYPD-UHFFFAOYSA-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 ≤ 500366.25
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'}

Analyze 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline
CID 10316689
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
2-(fluoromethyl)-5-iodoaniline
CID 91883431
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-iodophenyl)methyl]aniline
CID 69343574
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-4-(123I)iodo(123I)aniline
CID 11859067
1-[2-[4-iodo-2-(methoxymethyl)phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;potassiopotassium
CID 159573255

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline (CID 11164446) is 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline is CN(C)Cc1ccccc1Cc1ccc(I)cc1N.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline?
The InChIKey is BRZFVBLWHJLYPD-UHFFFAOYSA-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.
What are the key properties of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline?
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline has a molecular weight of 366.25 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-iodoaniline is sourced from PubChem (CID 11164446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).