2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine

C18H17IN2 — CID 105151840

IUPAC2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccnc2ccccc12
InChIInChI=1S/C18H17IN2/c1-20-18(12-13-6-8-14(19)9-7-13)16-10-11-21-17-5-3-2-4-15(16)17/h2-11,18,20H,12H2,1H3
InChIKeyOUINADYBQWQVPD-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine

2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine (PubChem CID 105151840) has the molecular formula C18H17IN2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
PubChem CID105151840
Molecular FormulaC18H17IN2
Molecular Weight388.25 g/mol
Exact Mass388.04
IUPAC Name2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccnc2ccccc12
InChIInChI=1S/C18H17IN2/c1-20-18(12-13-6-8-14(19)9-7-13)16-10-11-21-17-5-3-2-4-15(16)17/h2-11,18,20H,12H2,1H3
InChIKeyOUINADYBQWQVPD-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.34
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-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529
N-methyl-2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethanamine
CID 107065105
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105151971
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
N-methyl-2-(2-methylphenyl)-1-quinolin-5-ylethanamine
CID 81227621
N-methyl-1-quinolin-4-yloct-7-en-1-amine
CID 107011594
N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
CID 105150165
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine (CID 105151840) is 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine is CNC(Cc1ccc(I)cc1)c1ccnc2ccccc12.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine?
The InChIKey is OUINADYBQWQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2/c1-20-18(12-13-6-8-14(19)9-7-13)16-10-11-21-17-5-3-2-4-15(16)17/h2-11,18,20H,12H2,1H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine?
2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine has a molecular weight of 388.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine is sourced from PubChem (CID 105151840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).