1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine

C26H29F2N — CID 87553170

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESC#CCN(CCF)C1(C2CCc3ccccc32)c2ccccc2CCC1CCF
InChIInChI=1S/C26H29F2N/c1-2-18-29(19-17-28)26(25-14-12-20-7-3-5-9-23(20)25)22(15-16-27)13-11-21-8-4-6-10-24(21)26/h1,3-10,22,25H,11-19H2
InChIKeyXWMJNIJMMCQMMU-UHFFFAOYSA-N
MW393.52 g/mol
LogP5.44
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine

1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 87553170) has the molecular formula C26H29F2N and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID87553170
Molecular FormulaC26H29F2N
Molecular Weight393.52 g/mol
Exact Mass393.23
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESC#CCN(CCF)C1(C2CCc3ccccc32)c2ccccc2CCC1CCF
InChIInChI=1S/C26H29F2N/c1-2-18-29(19-17-28)26(25-14-12-20-7-3-5-9-23(20)25)22(15-16-27)13-11-21-8-4-6-10-24(21)26/h1,3-10,22,25H,11-19H2
InChIKeyXWMJNIJMMCQMMU-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine (CID 87553170) is 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine is C#CCN(CCF)C1(C2CCc3ccccc32)c2ccccc2CCC1CCF.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is XWMJNIJMMCQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N/c1-2-18-29(19-17-28)26(25-14-12-20-7-3-5-9-23(20)25)22(15-16-27)13-11-21-8-4-6-10-24(21)26/h1,3-10,22,25H,11-19H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 393.52 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-N,2-bis(2-fluoroethyl)-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 87553170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).