2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine

C14H20INO — CID 116714268

IUPAC2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)C1(OC)CCC1
InChIInChI=1S/C14H20INO/c1-16-13(14(17-2)8-3-9-14)10-11-4-6-12(15)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyNCQASIPLFLGYTM-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine

2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 116714268) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID116714268
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)C1(OC)CCC1
InChIInChI=1S/C14H20INO/c1-16-13(14(17-2)8-3-9-14)10-11-4-6-12(15)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyNCQASIPLFLGYTM-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.99
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

[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278223
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine (CID 116714268) is 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)C1(OC)CCC1.
What is the InChIKey of 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is NCQASIPLFLGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-16-13(14(17-2)8-3-9-14)10-11-4-6-12(15)7-5-11/h4-7,13,16H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 345.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 116714268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).