2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine

C12H16IN — CID 103845963

IUPAC2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)CC2CC2)c1I
InChIInChI=1S/C12H16IN/c1-8-3-2-4-10(12(8)13)11(14)7-9-5-6-9/h2-4,9,11H,5-7,14H2,1H3
InChIKeyXMBVRFJSLFQXFS-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.40
Rot. Bonds3

About 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine

2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine (PubChem CID 103845963) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
PubChem CID103845963
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Name2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)CC2CC2)c1I
InChIInChI=1S/C12H16IN/c1-8-3-2-4-10(12(8)13)11(14)7-9-5-6-9/h2-4,9,11H,5-7,14H2,1H3
InChIKeyXMBVRFJSLFQXFS-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 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 ≤ 53.40
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

1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethanamine;hydrochloride
CID 171208948
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
(1S)-1-(2-iodo-3-methylphenyl)prop-2-en-1-amine
CID 130706811

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine (CID 103845963) is 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine is Cc1cccc(C(N)CC2CC2)c1I.
What is the InChIKey of 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine?
The InChIKey is XMBVRFJSLFQXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c1-8-3-2-4-10(12(8)13)11(14)7-9-5-6-9/h2-4,9,11H,5-7,14H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine?
2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine has a molecular weight of 301.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine is sourced from PubChem (CID 103845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).