N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine

C21H25N — CID 11011757

IUPACN,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine
SMILESCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1
InChIInChI=1S/C21H25N/c1-16(17-9-5-4-6-10-17)21-19(13-14-22(2)3)15-18-11-7-8-12-20(18)21/h4-12,16H,13-15H2,1-3H3
InChIKeyQOMMMTAFQPGRCW-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.75
Rot. Bonds5

About N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine

N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine (PubChem CID 11011757) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine
PubChem CID11011757
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine
SMILESCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1
InChIInChI=1S/C21H25N/c1-16(17-9-5-4-6-10-17)21-19(13-14-22(2)3)15-18-11-7-8-12-20(18)21/h4-12,16H,13-15H2,1-3H3
InChIKeyQOMMMTAFQPGRCW-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine (CID 11011757) is N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine is CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is QOMMMTAFQPGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-16(17-9-5-4-6-10-17)21-19(13-14-22(2)3)15-18-11-7-8-12-20(18)21/h4-12,16H,13-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 11011757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).