N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine

C17H26N2O — CID 106455414

IUPACN-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
SMILESCCCOCCn1ccc2ccc(CNC(C)C)cc21
InChIInChI=1S/C17H26N2O/c1-4-10-20-11-9-19-8-7-16-6-5-15(12-17(16)19)13-18-14(2)3/h5-8,12,14,18H,4,9-11,13H2,1-3H3
InChIKeyYFZWROLGWAZFHB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.57
Rot. Bonds8

About N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine

N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine (PubChem CID 106455414) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
PubChem CID106455414
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
SMILESCCCOCCn1ccc2ccc(CNC(C)C)cc21
InChIInChI=1S/C17H26N2O/c1-4-10-20-11-9-19-8-7-16-6-5-15(12-17(16)19)13-18-14(2)3/h5-8,12,14,18H,4,9-11,13H2,1-3H3
InChIKeyYFZWROLGWAZFHB-UHFFFAOYSA-N
XLogP3.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
CID 102916820
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
CID 102916861
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657
N-[[3-bromo-4-(2-propoxyethoxy)phenyl]methyl]propan-2-amine
CID 106450102
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-[[3-bromo-4-(propoxymethyl)phenyl]methyl]propan-2-amine
CID 102772620
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102916969
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine (CID 106455414) is N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine is CCCOCCn1ccc2ccc(CNC(C)C)cc21.
What is the InChIKey of N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine?
The InChIKey is YFZWROLGWAZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-10-20-11-9-19-8-7-16-6-5-15(12-17(16)19)13-18-14(2)3/h5-8,12,14,18H,4,9-11,13H2,1-3H3.
What are the key properties of N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine?
N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine is sourced from PubChem (CID 106455414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).