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

C17H15IN2 — CID 104997408

IUPAC1-(2-iodophenyl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1ccccc1I
InChIInChI=1S/C17H15IN2/c18-15-7-3-1-6-14(15)16(19)11-12-9-10-20-17-8-4-2-5-13(12)17/h1-10,16H,11,19H2
InChIKeyHDECYGRIMMXSIP-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.08
Rot. Bonds3

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

1-(2-iodophenyl)-2-quinolin-4-ylethanamine (PubChem CID 104997408) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-quinolin-4-ylethanamine
PubChem CID104997408
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name1-(2-iodophenyl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1ccccc1I
InChIInChI=1S/C17H15IN2/c18-15-7-3-1-6-14(15)16(19)11-12-9-10-20-17-8-4-2-5-13(12)17/h1-10,16H,11,19H2
InChIKeyHDECYGRIMMXSIP-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.08
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

1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997403
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
CID 104997455
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
4-(2-ethylbutyl)quinoline
CID 143495355
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(2-iodophenyl)-2-quinolin-4-ylethanamine (CID 104997408) is 1-(2-iodophenyl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(2-iodophenyl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(2-iodophenyl)-2-quinolin-4-ylethanamine is NC(Cc1ccnc2ccccc12)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-quinolin-4-ylethanamine?
The InChIKey is HDECYGRIMMXSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c18-15-7-3-1-6-14(15)16(19)11-12-9-10-20-17-8-4-2-5-13(12)17/h1-10,16H,11,19H2.
What are the key properties of 1-(2-iodophenyl)-2-quinolin-4-ylethanamine?
1-(2-iodophenyl)-2-quinolin-4-ylethanamine has a molecular weight of 374.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).