1-[(4-iodophenyl)methyl]cyclopropan-1-amine

C10H12IN — CID 58506888

IUPAC1-[(4-iodophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C10H12IN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyXJENRPIXRPNGRT-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.33
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]cyclopropan-1-amine

1-[(4-iodophenyl)methyl]cyclopropan-1-amine (PubChem CID 58506888) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]cyclopropan-1-amine
PubChem CID58506888
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name1-[(4-iodophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C10H12IN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyXJENRPIXRPNGRT-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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

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(+)-Tranylcypromine
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Tranylcypromine hydrochloride
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Pentorex
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4-Iodo-alpha-methylbenzeneethanamine
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1-Phenylpent-4-en-2-amine
CID 20254
(1S,2S)-2-phenylcyclopropan-1-amine
CID 6604304
(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
CID 6419961
(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine hydrochloride
CID 118483877

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-iodophenyl)methyl]cyclopropan-1-amine (CID 58506888) is 1-[(4-iodophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccc(I)cc2)CC1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]cyclopropan-1-amine?
The InChIKey is XJENRPIXRPNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2.
What are the key properties of 1-[(4-iodophenyl)methyl]cyclopropan-1-amine?
1-[(4-iodophenyl)methyl]cyclopropan-1-amine has a molecular weight of 273.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 58506888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).