N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine

C16H17IN2 — CID 79079954

IUPACN-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1cc(I)ccc1NC1CCCc2cccnc21
InChIInChI=1S/C16H17IN2/c1-11-10-13(17)7-8-14(11)19-15-6-2-4-12-5-3-9-18-16(12)15/h3,5,7-10,15,19H,2,4,6H2,1H3
InChIKeyRIPDOSLUYNQIQY-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.48
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079954) has the molecular formula C16H17IN2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079954
Molecular FormulaC16H17IN2
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC NameN-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1cc(I)ccc1NC1CCCc2cccnc21
InChIInChI=1S/C16H17IN2/c1-11-10-13(17)7-8-14(11)19-15-6-2-4-12-5-3-9-18-16(12)15/h3,5,7-10,15,19H,2,4,6H2,1H3
InChIKeyRIPDOSLUYNQIQY-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.48
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-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N,3-dimethylbenzamide
CID 102773287
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839
3-fluoro-4-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079890
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
CID 79079889
N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114259315

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079954) is N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine is Cc1cc(I)ccc1NC1CCCc2cccnc21.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RIPDOSLUYNQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2/c1-11-10-13(17)7-8-14(11)19-15-6-2-4-12-5-3-9-18-16(12)15/h3,5,7-10,15,19H,2,4,6H2,1H3.
What are the key properties of N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 364.23 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).