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

C15H17IN2O — CID 11176087

IUPAC2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline
SMILESCN(C)Cc1ccccc1Oc1ccc(I)cc1N
InChIInChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
InChIKeyFXPKVPDERQMXMV-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.73
Rot. Bonds4

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

2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline (PubChem CID 11176087) has the molecular formula C15H17IN2O and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline
PubChem CID11176087
Molecular FormulaC15H17IN2O
Molecular Weight368.22 g/mol
Exact Mass368.04
IUPAC Name2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline
SMILESCN(C)Cc1ccccc1Oc1ccc(I)cc1N
InChIInChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
InChIKeyFXPKVPDERQMXMV-UHFFFAOYSA-N
XLogP3.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline (CID 11176087) is 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline is CN(C)Cc1ccccc1Oc1ccc(I)cc1N.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline?
The InChIKey is FXPKVPDERQMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline?
2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline has a molecular weight of 368.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenoxy]-5-iodoaniline is sourced from PubChem (CID 11176087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).