N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H17FINO — CID 79757846

IUPACN-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2Nc1ccc(F)cc1I
InChIInChI=1S/C17H17FINO/c1-21-13-6-7-14-11(9-13)3-2-4-16(14)20-17-8-5-12(18)10-15(17)19/h5-10,16,20H,2-4H2,1H3
InChIKeyLHEYGTXWWUKBKK-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.93
Rot. Bonds3

About N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79757846) has the molecular formula C17H17FINO and a molecular weight of 397.23 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79757846
Molecular FormulaC17H17FINO
Molecular Weight397.23 g/mol
Exact Mass397.03
IUPAC NameN-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2Nc1ccc(F)cc1I
InChIInChI=1S/C17H17FINO/c1-21-13-6-7-14-11(9-13)3-2-4-16(14)20-17-8-5-12(18)10-15(17)19/h5-10,16,20H,2-4H2,1H3
InChIKeyLHEYGTXWWUKBKK-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.93
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-fluoro-2-iodophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79769381
N-(4-fluoro-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62810888
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032
N-(dicyclopropylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096402
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107632388

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79757846) is N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LHEYGTXWWUKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO/c1-21-13-6-7-14-11(9-13)3-2-4-16(14)20-17-8-5-12(18)10-15(17)19/h5-10,16,20H,2-4H2,1H3.
What are the key properties of N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 397.23 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79757846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).