N-[(3-iodophenyl)methyl]cyclopropanamine

C10H12IN — CID 21107262

IUPACN-[(3-iodophenyl)methyl]cyclopropanamine
SMILESIc1cccc(CNC2CC2)c1
InChIInChI=1S/C10H12IN/c11-9-3-1-2-8(6-9)7-12-10-4-5-10/h1-3,6,10,12H,4-5,7H2
InChIKeyRNRNQFLQZDDEHK-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.54
Rot. Bonds3

About N-[(3-iodophenyl)methyl]cyclopropanamine

N-[(3-iodophenyl)methyl]cyclopropanamine (PubChem CID 21107262) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]cyclopropanamine
PubChem CID21107262
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC NameN-[(3-iodophenyl)methyl]cyclopropanamine
SMILESIc1cccc(CNC2CC2)c1
InChIInChI=1S/C10H12IN/c11-9-3-1-2-8(6-9)7-12-10-4-5-10/h1-3,6,10,12H,4-5,7H2
InChIKeyRNRNQFLQZDDEHK-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.54
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

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-iodophenyl)methyl]cyclopropanamine (CID 21107262) is N-[(3-iodophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-iodophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-iodophenyl)methyl]cyclopropanamine is Ic1cccc(CNC2CC2)c1.
What is the InChIKey of N-[(3-iodophenyl)methyl]cyclopropanamine?
The InChIKey is RNRNQFLQZDDEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c11-9-3-1-2-8(6-9)7-12-10-4-5-10/h1-3,6,10,12H,4-5,7H2.
What are the key properties of N-[(3-iodophenyl)methyl]cyclopropanamine?
N-[(3-iodophenyl)methyl]cyclopropanamine has a molecular weight of 273.12 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 21107262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).