cyclopropyl-(2-iodophenyl)methanamine

C10H12IN — CID 112684977

IUPACcyclopropyl-(2-iodophenyl)methanamine
SMILESNC(c1ccccc1I)C1CC1
InChIInChI=1S/C10H12IN/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7,10H,5-6,12H2
InChIKeyIRBZEZSFZIEKNZ-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.70
Rot. Bonds2

About cyclopropyl-(2-iodophenyl)methanamine

cyclopropyl-(2-iodophenyl)methanamine (PubChem CID 112684977) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is cyclopropyl-(2-iodophenyl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(2-iodophenyl)methanamine
PubChem CID112684977
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Namecyclopropyl-(2-iodophenyl)methanamine
SMILESNC(c1ccccc1I)C1CC1
InChIInChI=1S/C10H12IN/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7,10H,5-6,12H2
InChIKeyIRBZEZSFZIEKNZ-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.70
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

cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
(2-bromo-3-iodophenyl)-cyclopropylmethanamine
CID 130043777
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(S)-cyclopropyl-(2-ethenylphenyl)methanamine
CID 131218934
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
CID 55282374
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-iodophenyl)methanamine?
The IUPAC name of cyclopropyl-(2-iodophenyl)methanamine (CID 112684977) is cyclopropyl-(2-iodophenyl)methanamine.
What is the SMILES notation for cyclopropyl-(2-iodophenyl)methanamine?
The canonical SMILES for cyclopropyl-(2-iodophenyl)methanamine is NC(c1ccccc1I)C1CC1.
What is the InChIKey of cyclopropyl-(2-iodophenyl)methanamine?
The InChIKey is IRBZEZSFZIEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7,10H,5-6,12H2.
What are the key properties of cyclopropyl-(2-iodophenyl)methanamine?
cyclopropyl-(2-iodophenyl)methanamine has a molecular weight of 273.12 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-iodophenyl)methanamine is sourced from PubChem (CID 112684977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).