N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine

C22H28N2 — CID 11012653

IUPACN-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
SMILESCC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C22H28N2/c1-16(2)24(4)14-12-19-15-18-9-5-6-10-20(18)22(19)17(3)21-11-7-8-13-23-21/h5-11,13,16-17H,12,14-15H2,1-4H3
InChIKeyKLYUNLYWGBECRC-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.93
Rot. Bonds6

About N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine

N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine (PubChem CID 11012653) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
PubChem CID11012653
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC NameN-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
SMILESCC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C22H28N2/c1-16(2)24(4)14-12-19-15-18-9-5-6-10-20(18)22(19)17(3)21-11-7-8-13-23-21/h5-11,13,16-17H,12,14-15H2,1-4H3
InChIKeyKLYUNLYWGBECRC-UHFFFAOYSA-N
XLogP4.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Dexchlorpheniramine
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3-(1-Methylpyrrolidin-2-yl)pyridine
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5,5'-Dimethyl-2,2'-bipyridyl
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Myosmine
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Dexbrompheniramine
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CID 19861

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine (CID 11012653) is N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine is CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1.
What is the InChIKey of N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
The InChIKey is KLYUNLYWGBECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-16(2)24(4)14-12-19-15-18-9-5-6-10-20(18)22(19)17(3)21-11-7-8-13-23-21/h5-11,13,16-17H,12,14-15H2,1-4H3.
What are the key properties of N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine has a molecular weight of 320.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 11012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).