N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride

C23H23ClN2O2 — CID 17331042

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride
SMILESCCn1c2ccccc2c2cc(CNCc3ccc4c(c3)OCO4)ccc21.Cl
InChIInChI=1S/C23H22N2O2.ClH/c1-2-25-20-6-4-3-5-18(20)19-11-16(7-9-21(19)25)13-24-14-17-8-10-22-23(12-17)27-15-26-22;/h3-12,24H,2,13-15H2,1H3;1H
InChIKeyVBHWTCWFKJPQLT-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.25
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride

N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride (PubChem CID 17331042) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride
PubChem CID17331042
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride
SMILESCCn1c2ccccc2c2cc(CNCc3ccc4c(c3)OCO4)ccc21.Cl
InChIInChI=1S/C23H22N2O2.ClH/c1-2-25-20-6-4-3-5-18(20)19-11-16(7-9-21(19)25)13-24-14-17-8-10-22-23(12-17)27-15-26-22;/h3-12,24H,2,13-15H2,1H3;1H
InChIKeyVBHWTCWFKJPQLT-UHFFFAOYSA-N
XLogP5.25
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
1-(1,3-benzodioxol-5-yl)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]methanamine;hydrochloride
CID 17157830
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
5-[[(9-ethylcarbazol-3-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 55684008
N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214739
4-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-3-nitroquinolin-2-one
CID 4585680
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
N-(1,3-benzodioxol-5-yl)-N-[(9-ethylcarbazol-3-yl)methyl]-3-phenylpropanamide
CID 22474557

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride (CID 17331042) is N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride is CCn1c2ccccc2c2cc(CNCc3ccc4c(c3)OCO4)ccc21.Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride?
The InChIKey is VBHWTCWFKJPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2.ClH/c1-2-25-20-6-4-3-5-18(20)19-11-16(7-9-21(19)25)13-24-14-17-8-10-22-23(12-17)27-15-26-22;/h3-12,24H,2,13-15H2,1H3;1H.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride?
N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 17331042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).