1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine

C20H26N2O2 — CID 82257028

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
SMILESCOc1ccc(OCCNC(C)Cc2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C20H26N2O2/c1-15(13-16-3-8-20-17(14-16)9-10-22-20)21-11-12-24-19-6-4-18(23-2)5-7-19/h3-8,14-15,21-22H,9-13H2,1-2H3
InChIKeyOVFGYEDPGUEMJH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.26
Rot. Bonds8

About 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine

1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine (PubChem CID 82257028) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
PubChem CID82257028
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
SMILESCOc1ccc(OCCNC(C)Cc2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C20H26N2O2/c1-15(13-16-3-8-20-17(14-16)9-10-22-20)21-11-12-24-19-6-4-18(23-2)5-7-19/h3-8,14-15,21-22H,9-13H2,1-2H3
InChIKeyOVFGYEDPGUEMJH-UHFFFAOYSA-N
XLogP3.26
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
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-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ylamino]ethyl]acetamide
CID 82257098
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
N-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 82257057
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167990842
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine (CID 82257028) is 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine is COc1ccc(OCCNC(C)Cc2ccc3c(c2)CCN3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
The InChIKey is OVFGYEDPGUEMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(13-16-3-8-20-17(14-16)9-10-22-20)21-11-12-24-19-6-4-18(23-2)5-7-19/h3-8,14-15,21-22H,9-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine?
1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine has a molecular weight of 326.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 82257028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).