[1-(2-iodophenyl)cyclopentyl]methanamine

C12H16IN — CID 70594144

IUPAC[1-(2-iodophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccccc2I)CCCC1
InChIInChI=1S/C12H16IN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKeyXDZMALWUWAFGAN-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.06
Rot. Bonds2

About [1-(2-iodophenyl)cyclopentyl]methanamine

[1-(2-iodophenyl)cyclopentyl]methanamine (PubChem CID 70594144) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is [1-(2-iodophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-iodophenyl)cyclopentyl]methanamine
PubChem CID70594144
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Name[1-(2-iodophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccccc2I)CCCC1
InChIInChI=1S/C12H16IN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKeyXDZMALWUWAFGAN-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.06
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-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
1-(2-iodophenyl)cyclohexan-1-ol
CID 91620126
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
[1-(1H-indol-7-yl)cyclohexyl]methanamine
CID 96801849
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373
[1-(2-cyclopropylsulfanylphenyl)cyclohexyl]methanamine
CID 117408838
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639

Frequently Asked Questions

What is the IUPAC name of [1-(2-iodophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-iodophenyl)cyclopentyl]methanamine (CID 70594144) is [1-(2-iodophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-iodophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-iodophenyl)cyclopentyl]methanamine is NCC1(c2ccccc2I)CCCC1.
What is the InChIKey of [1-(2-iodophenyl)cyclopentyl]methanamine?
The InChIKey is XDZMALWUWAFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2.
What are the key properties of [1-(2-iodophenyl)cyclopentyl]methanamine?
[1-(2-iodophenyl)cyclopentyl]methanamine has a molecular weight of 301.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 70594144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).