2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine

C19H24N2 — CID 61076565

IUPAC2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine
SMILESCCN(c1cccc(C)c1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-3-21(18-10-6-7-15(2)11-18)19(14-20)12-16-8-4-5-9-17(16)13-19/h4-11H,3,12-14,20H2,1-2H3
InChIKeyCWVXAWBWJRCZSB-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.32
Rot. Bonds4

About 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine

2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine (PubChem CID 61076565) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine
PubChem CID61076565
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine
SMILESCCN(c1cccc(C)c1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-3-21(18-10-6-7-15(2)11-18)19(14-20)12-16-8-4-5-9-17(16)13-19/h4-11H,3,12-14,20H2,1-2H3
InChIKeyCWVXAWBWJRCZSB-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine (CID 61076565) is 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine is CCN(c1cccc(C)c1)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine?
The InChIKey is CWVXAWBWJRCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-21(18-10-6-7-15(2)11-18)19(14-20)12-16-8-4-5-9-17(16)13-19/h4-11H,3,12-14,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine?
2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 61076565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).