(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine

C18H22N2O — CID 81382251

IUPAC(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cccc3c2NCC3)c1
InChIInChI=1S/C18H22N2O/c1-13(15-6-4-8-17(11-15)21-2)20-12-16-7-3-5-14-9-10-19-18(14)16/h3-8,11,13,19-20H,9-10,12H2,1-2H3/t13-/m1/s1
InChIKeySJZQWLUCJZKZHO-CYBMUJFWSA-N
MW282.39 g/mol
LogP3.51
Rot. Bonds5

About (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine

(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 81382251) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID81382251
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cccc3c2NCC3)c1
InChIInChI=1S/C18H22N2O/c1-13(15-6-4-8-17(11-15)21-2)20-12-16-7-3-5-14-9-10-19-18(14)16/h3-8,11,13,19-20H,9-10,12H2,1-2H3/t13-/m1/s1
InChIKeySJZQWLUCJZKZHO-CYBMUJFWSA-N
XLogP3.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80649541
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 80650058
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398862
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 81382251) is (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCc2cccc3c2NCC3)c1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SJZQWLUCJZKZHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(15-6-4-8-17(11-15)21-2)20-12-16-7-3-5-14-9-10-19-18(14)16/h3-8,11,13,19-20H,9-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81382251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).