N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C21H23FN2O — CID 142681169

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CC(NCCc1c[nH]c3ccc(F)cc13)CC2
InChIInChI=1S/C21H23FN2O/c1-25-21-4-2-3-14-5-7-17(12-19(14)21)23-10-9-15-13-24-20-8-6-16(22)11-18(15)20/h2-4,6,8,11,13,17,23-24H,5,7,9-10,12H2,1H3
InChIKeyUBYZBTDXDPCPEK-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 142681169) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID142681169
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc2c1CC(NCCc1c[nH]c3ccc(F)cc13)CC2
InChIInChI=1S/C21H23FN2O/c1-25-21-4-2-3-14-5-7-17(12-19(14)21)23-10-9-15-13-24-20-8-6-16(22)11-18(15)20/h2-4,6,8,11,13,17,23-24H,5,7,9-10,12H2,1H3
InChIKeyUBYZBTDXDPCPEK-UHFFFAOYSA-N
XLogP4.01
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 11845452
8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 25138737
N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 69439070
N-cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 11845458
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111972914
1-[(2,3-dimethoxyphenyl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111972911
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111788155
N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836469
8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331822

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 142681169) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc2c1CC(NCCc1c[nH]c3ccc(F)cc13)CC2.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UBYZBTDXDPCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-25-21-4-2-3-14-5-7-17(12-19(14)21)23-10-9-15-13-24-20-8-6-16(22)11-18(15)20/h2-4,6,8,11,13,17,23-24H,5,7,9-10,12H2,1H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 338.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 142681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).