(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine

C22H21N — CID 67388625

IUPAC(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
SMILESC[C@@]1(c2ccccc2)Cc2ccccc2[C@@]1(N)c1ccccc1
InChIInChI=1S/C22H21N/c1-21(18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(21,23)19-13-6-3-7-14-19/h2-15H,16,23H2,1H3/t21-,22-/m0/s1
InChIKeyLQAKEZPKQYLEAP-VXKWHMMOSA-N
MW299.42 g/mol
LogP4.40
Rot. Bonds2

About (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine

(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine (PubChem CID 67388625) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine.

Molecular Properties

Compound Name(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
PubChem CID67388625
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
SMILESC[C@@]1(c2ccccc2)Cc2ccccc2[C@@]1(N)c1ccccc1
InChIInChI=1S/C22H21N/c1-21(18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(21,23)19-13-6-3-7-14-19/h2-15H,16,23H2,1H3/t21-,22-/m0/s1
InChIKeyLQAKEZPKQYLEAP-VXKWHMMOSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine?
The IUPAC name of (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine (CID 67388625) is (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine.
What is the SMILES notation for (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine?
The canonical SMILES for (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine is C[C@@]1(c2ccccc2)Cc2ccccc2[C@@]1(N)c1ccccc1.
What is the InChIKey of (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine?
The InChIKey is LQAKEZPKQYLEAP-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H21N/c1-21(18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(21,23)19-13-6-3-7-14-19/h2-15H,16,23H2,1H3/t21-,22-/m0/s1.
What are the key properties of (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine?
(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine has a molecular weight of 299.42 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine is sourced from PubChem (CID 67388625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).