N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

C23H30N2O — CID 14011045

IUPACN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C23H30N2O/c1-3-13-25(14-4-2)15-12-20-17-24-23-11-10-21(16-22(20)23)26-18-19-8-6-5-7-9-19/h5-11,16-17,24H,3-4,12-15,18H2,1-2H3
InChIKeyNGUXOFJZFALDHI-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.41
Rot. Bonds10

About N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine (PubChem CID 14011045) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
PubChem CID14011045
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C23H30N2O/c1-3-13-25(14-4-2)15-12-20-17-24-23-11-10-21(16-22(20)23)26-18-19-8-6-5-7-9-19/h5-11,16-17,24H,3-4,12-15,18H2,1-2H3
InChIKeyNGUXOFJZFALDHI-UHFFFAOYSA-N
XLogP5.41
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine (CID 14011045) is N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The InChIKey is NGUXOFJZFALDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-13-25(14-4-2)15-12-20-17-24-23-11-10-21(16-22(20)23)26-18-19-8-6-5-7-9-19/h5-11,16-17,24H,3-4,12-15,18H2,1-2H3.
What are the key properties of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine has a molecular weight of 350.51 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 14011045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).