(1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine

C22H22N2 — CID 156595870

IUPAC(1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1
InChIKeySKQKRKDBQBKZJK-MRXNPFEDSA-N
MW314.43 g/mol
LogP5.51
Rot. Bonds4

About (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine

(1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 156595870) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID156595870
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name(1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1
InChIKeySKQKRKDBQBKZJK-MRXNPFEDSA-N
XLogP5.51
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
(+)-Lysergic acid diethylamide
CID 5761
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Pergolide
CID 47811
Lysergic acid amide
CID 442072
Lisuride
CID 28864
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine (CID 156595870) is (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is SKQKRKDBQBKZJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2/c1-16(19-12-7-9-17-8-3-4-10-20(17)19)24(2)15-18-14-23-22-13-6-5-11-21(18)22/h3-14,16,23H,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
(1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 314.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1H-indol-3-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 156595870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).