4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol

C11H17IN2O2 — CID 106243071

IUPAC4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ccc(N)cc1I
InChIInChI=1S/C11H17IN2O2/c1-16-7-9(15)4-5-14-11-3-2-8(13)6-10(11)12/h2-3,6,9,14-15H,4-5,7,13H2,1H3
InChIKeyCPRSGBMYYDPCES-UHFFFAOYSA-N
MW336.17 g/mol
LogP1.68
Rot. Bonds6

About 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol

4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol (PubChem CID 106243071) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
PubChem CID106243071
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ccc(N)cc1I
InChIInChI=1S/C11H17IN2O2/c1-16-7-9(15)4-5-14-11-3-2-8(13)6-10(11)12/h2-3,6,9,14-15H,4-5,7,13H2,1H3
InChIKeyCPRSGBMYYDPCES-UHFFFAOYSA-N
XLogP1.68
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol 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

4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
CID 106243281
5-bromo-2-[[(3S)-3-hydroxy-4-methoxybutyl]amino]benzonitrile
CID 97350234
5-bromo-2-[[(3R)-3-hydroxy-4-methoxybutyl]amino]benzonitrile
CID 97350233
4-(3-amino-5-fluoroanilino)-1-methoxybutan-2-ol
CID 106243117
2-[(3-hydroxy-4-methoxybutyl)amino]-5-sulfamoylbenzoic acid
CID 106247934
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
4-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242617

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol (CID 106243071) is 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol is COCC(O)CCNc1ccc(N)cc1I.
What is the InChIKey of 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol?
The InChIKey is CPRSGBMYYDPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2/c1-16-7-9(15)4-5-14-11-3-2-8(13)6-10(11)12/h2-3,6,9,14-15H,4-5,7,13H2,1H3.
What are the key properties of 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol?
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol has a molecular weight of 336.17 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol is sourced from PubChem (CID 106243071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).