N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine

C18H22INO — CID 43489761

IUPACN-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)c1ccccc1I
InChIInChI=1S/C18H22INO/c1-3-20-18(16-6-4-5-7-17(16)19)15-10-8-14(9-11-15)12-13-21-2/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyFAMHXRFRPNTWRJ-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.18
Rot. Bonds7

About N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine

N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine (PubChem CID 43489761) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
PubChem CID43489761
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)c1ccccc1I
InChIInChI=1S/C18H22INO/c1-3-20-18(16-6-4-5-7-17(16)19)15-10-8-14(9-11-15)12-13-21-2/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyFAMHXRFRPNTWRJ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.18
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-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819986
N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 107960737
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
CID 43489780
N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 43495083
N-[(2-methoxy-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 115605108
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine (CID 43489761) is N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(CCOC)cc1)c1ccccc1I.
What is the InChIKey of N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
The InChIKey is FAMHXRFRPNTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-3-20-18(16-6-4-5-7-17(16)19)15-10-8-14(9-11-15)12-13-21-2/h4-11,18,20H,3,12-13H2,1-2H3.
What are the key properties of N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine has a molecular weight of 395.28 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43489761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).