N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine

C18H20INO — CID 105051816

IUPACN-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)c1ccccc1I
InChIInChI=1S/C18H20INO/c1-2-20-18(16-8-3-4-9-17(16)19)13-6-5-7-15(12-13)21-14-10-11-14/h3-9,12,14,18,20H,2,10-11H2,1H3
InChIKeyBCCCRFKXAQQHLN-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.53
Rot. Bonds6

About N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine

N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine (PubChem CID 105051816) has the molecular formula C18H20INO and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
PubChem CID105051816
Molecular FormulaC18H20INO
Molecular Weight393.27 g/mol
Exact Mass393.06
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)c1ccccc1I
InChIInChI=1S/C18H20INO/c1-2-20-18(16-8-3-4-9-17(16)19)13-6-5-7-15(12-13)21-14-10-11-14/h3-9,12,14,18,20H,2,10-11H2,1H3
InChIKeyBCCCRFKXAQQHLN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.53
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

N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
N-[(3-cyclopropyloxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105188541
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine (CID 105051816) is N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine is CCNC(c1cccc(OC2CC2)c1)c1ccccc1I.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine?
The InChIKey is BCCCRFKXAQQHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO/c1-2-20-18(16-8-3-4-9-17(16)19)13-6-5-7-15(12-13)21-14-10-11-14/h3-9,12,14,18,20H,2,10-11H2,1H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine?
N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine has a molecular weight of 393.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 105051816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).