[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine

C11H14INO — CID 169488705

IUPAC[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
SMILESNCc1ccc(OCC2CC2)c(I)c1
InChIInChI=1S/C11H14INO/c12-10-5-9(6-13)3-4-11(10)14-7-8-1-2-8/h3-5,8H,1-2,6-7,13H2
InChIKeyBEDKIYQAGKNZSH-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.54
Rot. Bonds4

About [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine

[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine (PubChem CID 169488705) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
PubChem CID169488705
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
SMILESNCc1ccc(OCC2CC2)c(I)c1
InChIInChI=1S/C11H14INO/c12-10-5-9(6-13)3-4-11(10)14-7-8-1-2-8/h3-5,8H,1-2,6-7,13H2
InChIKeyBEDKIYQAGKNZSH-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
CID 68694681
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
4-(cycloheptylmethoxy)-3-iodoaniline
CID 114248007
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine?
The IUPAC name of [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine (CID 169488705) is [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine.
What is the SMILES notation for [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine?
The canonical SMILES for [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine is NCc1ccc(OCC2CC2)c(I)c1.
What is the InChIKey of [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine?
The InChIKey is BEDKIYQAGKNZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-10-5-9(6-13)3-4-11(10)14-7-8-1-2-8/h3-5,8H,1-2,6-7,13H2.
What are the key properties of [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine?
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine has a molecular weight of 303.14 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)-3-iodophenyl]methanamine is sourced from PubChem (CID 169488705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).