(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium

C23H25N2O+ — CID 2250649

IUPAC(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]Cc3ccccc3OC)ccc21
InChIInChI=1S/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3/p+1
InChIKeyFIOIJUCPVZEPFX-UHFFFAOYSA-O
MW345.47 g/mol
LogP4.09
Rot. Bonds6

About (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium

(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium (PubChem CID 2250649) has the molecular formula C23H25N2O+ and a molecular weight of 345.47 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
PubChem CID2250649
Molecular FormulaC23H25N2O+
Molecular Weight345.47 g/mol
Exact Mass345.20
IUPAC Name(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]Cc3ccccc3OC)ccc21
InChIInChI=1S/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3/p+1
InChIKeyFIOIJUCPVZEPFX-UHFFFAOYSA-O
XLogP4.09
TPSA30.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
CID 2165207
2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
CID 7026639
1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 90431869
N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17461704
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium?
The IUPAC name of (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium (CID 2250649) is (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium?
The canonical SMILES for (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium is CCn1c2ccccc2c2cc(C[NH2+]Cc3ccccc3OC)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium?
The InChIKey is FIOIJUCPVZEPFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N2O/c1-3-25-21-10-6-5-9-19(21)20-14-17(12-13-22(20)25)15-24-16-18-8-4-7-11-23(18)26-2/h4-14,24H,3,15-16H2,1-2H3/p+1.
What are the key properties of (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium?
(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium has a molecular weight of 345.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 2250649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).