4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline

C13H18IN — CID 43717065

IUPAC4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCc1cc(I)ccc1NC(C)C1(C)CC1
InChIInChI=1S/C13H18IN/c1-9-8-11(14)4-5-12(9)15-10(2)13(3)6-7-13/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyOADSUDMTCAVFBO-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.20
Rot. Bonds3

About 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline

4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43717065) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43717065
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCc1cc(I)ccc1NC(C)C1(C)CC1
InChIInChI=1S/C13H18IN/c1-9-8-11(14)4-5-12(9)15-10(2)13(3)6-7-13/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyOADSUDMTCAVFBO-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline 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-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43733719
2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173505
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319
N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
CID 115929993
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-iodo-2-methylaniline
CID 63752277
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
4-iodo-2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43717026

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43717065) is 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline is Cc1cc(I)ccc1NC(C)C1(C)CC1.
What is the InChIKey of 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is OADSUDMTCAVFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c1-9-8-11(14)4-5-12(9)15-10(2)13(3)6-7-13/h4-5,8,10,15H,6-7H2,1-3H3.
What are the key properties of 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline?
4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 315.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43717065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).