(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine

C30H30N2O — CID 58803173

IUPAC(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(-c2cccc(OC)c2)c2cc(CN[C@H](C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C30H30N2O/c1-4-32-20-29(24-11-7-12-25(18-24)33-3)28-17-22(15-16-30(28)32)19-31-21(2)26-14-8-10-23-9-5-6-13-27(23)26/h5-18,20-21,31H,4,19H2,1-3H3/t21-/m1/s1
InChIKeyRUTYGBRDYJZAEW-OAQYLSRUSA-N
MW434.58 g/mol
LogP7.34
Rot. Bonds7

About (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 58803173) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID58803173
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(-c2cccc(OC)c2)c2cc(CN[C@H](C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C30H30N2O/c1-4-32-20-29(24-11-7-12-25(18-24)33-3)28-17-22(15-16-30(28)32)19-31-21(2)26-14-8-10-23-9-5-6-13-27(23)26/h5-18,20-21,31H,4,19H2,1-3H3/t21-/m1/s1
InChIKeyRUTYGBRDYJZAEW-OAQYLSRUSA-N
XLogP7.34
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine with MolForge

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Related Compounds

N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087525
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
N-[(1-ethylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087504
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 142834106
buta-1,3-diene;N-[[3-[(E)-3-chlorobut-2-enyl]-1-ethylindol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 142834095
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391172

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine (CID 58803173) is (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine is CCn1cc(-c2cccc(OC)c2)c2cc(CN[C@H](C)c3cccc4ccccc34)ccc21.
What is the InChIKey of (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is RUTYGBRDYJZAEW-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H30N2O/c1-4-32-20-29(24-11-7-12-25(18-24)33-3)28-17-22(15-16-30(28)32)19-31-21(2)26-14-8-10-23-9-5-6-13-27(23)26/h5-18,20-21,31H,4,19H2,1-3H3/t21-/m1/s1.
What are the key properties of (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 434.58 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 58803173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).