N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine

C22H22N2O2 — CID 10132371

IUPACN-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine
SMILESCOc1ccc2[nH]c3cc(OCCNCc4ccccc4)ccc3c2c1
InChIInChI=1S/C22H22N2O2/c1-25-17-8-10-21-20(13-17)19-9-7-18(14-22(19)24-21)26-12-11-23-15-16-5-3-2-4-6-16/h2-10,13-14,23-24H,11-12,15H2,1H3
InChIKeyYMKOWTPYPMNBCF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine

N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine (PubChem CID 10132371) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine
PubChem CID10132371
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine
SMILESCOc1ccc2[nH]c3cc(OCCNCc4ccccc4)ccc3c2c1
InChIInChI=1S/C22H22N2O2/c1-25-17-8-10-21-20(13-17)19-9-7-18(14-22(19)24-21)26-12-11-23-15-16-5-3-2-4-6-16/h2-10,13-14,23-24H,11-12,15H2,1H3
InChIKeyYMKOWTPYPMNBCF-UHFFFAOYSA-N
XLogP4.50
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
CID 10291800
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium
CID 57439447
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine?
The IUPAC name of N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine (CID 10132371) is N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine?
The canonical SMILES for N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine is COc1ccc2[nH]c3cc(OCCNCc4ccccc4)ccc3c2c1.
What is the InChIKey of N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine?
The InChIKey is YMKOWTPYPMNBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-25-17-8-10-21-20(13-17)19-9-7-18(14-22(19)24-21)26-12-11-23-15-16-5-3-2-4-6-16/h2-10,13-14,23-24H,11-12,15H2,1H3.
What are the key properties of N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine?
N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine has a molecular weight of 346.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine is sourced from PubChem (CID 10132371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).