N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18FNO — CID 79239496

IUPACN-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cccc(F)c1)CCC2
InChIInChI=1S/C17H18FNO/c1-20-15-9-8-12-4-2-7-17(16(12)11-15)19-14-6-3-5-13(18)10-14/h3,5-6,8-11,17,19H,2,4,7H2,1H3
InChIKeyXRZQDZTVHWBUEZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.32
Rot. Bonds3

About N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79239496) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79239496
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cccc(F)c1)CCC2
InChIInChI=1S/C17H18FNO/c1-20-15-9-8-12-4-2-7-17(16(12)11-15)19-14-6-3-5-13(18)10-14/h3,5-6,8-11,17,19H,2,4,7H2,1H3
InChIKeyXRZQDZTVHWBUEZ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
7-methoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239327
N-(3-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232093
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
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-(4-fluoro-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62810888
N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79757846

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79239496) is N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(Nc1cccc(F)c1)CCC2.
What is the InChIKey of N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XRZQDZTVHWBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-15-9-8-12-4-2-7-17(16(12)11-15)19-14-6-3-5-13(18)10-14/h3,5-6,8-11,17,19H,2,4,7H2,1H3.
What are the key properties of N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79239496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).