N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine

C16H26N2O2 — CID 80566812

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)CC1CNc2ccccc21
InChIInChI=1S/C16H26N2O2/c1-19-10-5-8-18(9-11-20-2)13-14-12-17-16-7-4-3-6-15(14)16/h3-4,6-7,14,17H,5,8-13H2,1-2H3
InChIKeyVYXZSWIXFCPWAV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds9

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 80566812) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID80566812
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)CC1CNc2ccccc21
InChIInChI=1S/C16H26N2O2/c1-19-10-5-8-18(9-11-20-2)13-14-12-17-16-7-4-3-6-15(14)16/h3-4,6-7,14,17H,5,8-13H2,1-2H3
InChIKeyVYXZSWIXFCPWAV-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82951861
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80566592
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 80572799
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290046
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine
CID 80577137
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 103403310
3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565901
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-ethylethanamine
CID 80577124

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 80566812) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine is COCCCN(CCOC)CC1CNc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is VYXZSWIXFCPWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-10-5-8-18(9-11-20-2)13-14-12-17-16-7-4-3-6-15(14)16/h3-4,6-7,14,17H,5,8-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 80566812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).