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

C12H16IN — CID 43173505

IUPAC2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCC(Nc1ccccc1I)C1(C)CC1
InChIInChI=1S/C12H16IN/c1-9(12(2)7-8-12)14-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyNYOFAMFVEUVIBB-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.89
Rot. Bonds3

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

2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43173505) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43173505
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Name2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCC(Nc1ccccc1I)C1(C)CC1
InChIInChI=1S/C12H16IN/c1-9(12(2)7-8-12)14-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyNYOFAMFVEUVIBB-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363161
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173433
2,3-difluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 61076984
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
N-[1-(1-methylcyclopropyl)ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675505
2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43733719
N-[1-(1-methylcyclopropyl)ethyl]-2-morpholin-4-ylaniline
CID 43717227
N-methyl-2-[2-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43692229
3-(2-iodoanilino)butanenitrile
CID 60912965
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363069
2-(2-iodoanilino)-3-methylbutanoic acid
CID 103236993

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43173505) is 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline is CC(Nc1ccccc1I)C1(C)CC1.
What is the InChIKey of 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is NYOFAMFVEUVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c1-9(12(2)7-8-12)14-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 301.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43173505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).