1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine

C18H21ClIN — CID 103220356

IUPAC1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(CC)c(C(NC)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C18H21ClIN/c1-4-12-6-7-13(5-2)15(10-12)18(21-3)14-8-9-17(20)16(19)11-14/h6-11,18,21H,4-5H2,1-3H3
InChIKeyGUYWCBQZBGWMCW-UHFFFAOYSA-N
MW413.73 g/mol
LogP5.38
Rot. Bonds5

About 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine

1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine (PubChem CID 103220356) has the molecular formula C18H21ClIN and a molecular weight of 413.73 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine
PubChem CID103220356
Molecular FormulaC18H21ClIN
Molecular Weight413.73 g/mol
Exact Mass413.04
IUPAC Name1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(CC)c(C(NC)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C18H21ClIN/c1-4-12-6-7-13(5-2)15(10-12)18(21-3)14-8-9-17(20)16(19)11-14/h6-11,18,21H,4-5H2,1-3H3
InChIKeyGUYWCBQZBGWMCW-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 55.38
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-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149
1-(2-chloro-4,5-dimethylphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220536
1-(3-chloro-4-iodophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 103216562
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
1-(3-chloro-4-iodophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 103215300
1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 103216066
N-[(2-chloro-4,5-dimethylphenyl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103220538
1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153377
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 103215327
1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484734
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine (CID 103220356) is 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine is CCc1ccc(CC)c(C(NC)c2ccc(I)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine?
The InChIKey is GUYWCBQZBGWMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClIN/c1-4-12-6-7-13(5-2)15(10-12)18(21-3)14-8-9-17(20)16(19)11-14/h6-11,18,21H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine?
1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine has a molecular weight of 413.73 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 103220356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).