3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine

C25H30N2O — CID 176928161

IUPAC3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC[C@@H](c1ccc2ccc(OCCCN(C)C)cc2c1)N1CCc2ccccc21
InChIInChI=1S/C25H30N2O/c1-19(27-15-13-21-7-4-5-8-25(21)27)22-10-9-20-11-12-24(18-23(20)17-22)28-16-6-14-26(2)3/h4-5,7-12,17-19H,6,13-16H2,1-3H3/t19-/m0/s1
InChIKeyPUVHMJDEJBNVRQ-IBGZPJMESA-N
MW374.53 g/mol
LogP5.29
Rot. Bonds7

About 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine

3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 176928161) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID176928161
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC[C@@H](c1ccc2ccc(OCCCN(C)C)cc2c1)N1CCc2ccccc21
InChIInChI=1S/C25H30N2O/c1-19(27-15-13-21-7-4-5-8-25(21)27)22-10-9-20-11-12-24(18-23(20)17-22)28-16-6-14-26(2)3/h4-5,7-12,17-19H,6,13-16H2,1-3H3/t19-/m0/s1
InChIKeyPUVHMJDEJBNVRQ-IBGZPJMESA-N
XLogP5.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine (CID 176928161) is 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine is C[C@@H](c1ccc2ccc(OCCCN(C)C)cc2c1)N1CCc2ccccc21.
What is the InChIKey of 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is PUVHMJDEJBNVRQ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N2O/c1-19(27-15-13-21-7-4-5-8-25(21)27)22-10-9-20-11-12-24(18-23(20)17-22)28-16-6-14-26(2)3/h4-5,7-12,17-19H,6,13-16H2,1-3H3/t19-/m0/s1.
What are the key properties of 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine?
3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 374.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]naphthalen-2-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 176928161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).