N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide

C20H25N3O — CID 150769189

IUPACN-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1ccc(Nc2ccccc2OC)c2c1CCC2
InChIInChI=1S/C20H25N3O/c1-4-23(2)14-21-17-12-13-18(16-9-7-8-15(16)17)22-19-10-5-6-11-20(19)24-3/h5-6,10-14,22H,4,7-9H2,1-3H3/b21-14+
InChIKeyJZMRYHHMLRVDLB-KGENOOAVSA-N
MW323.44 g/mol
LogP4.54
Rot. Bonds6

About N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide

N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide (PubChem CID 150769189) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide
PubChem CID150769189
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1ccc(Nc2ccccc2OC)c2c1CCC2
InChIInChI=1S/C20H25N3O/c1-4-23(2)14-21-17-12-13-18(16-9-7-8-15(16)17)22-19-10-5-6-11-20(19)24-3/h5-6,10-14,22H,4,7-9H2,1-3H3/b21-14+
InChIKeyJZMRYHHMLRVDLB-KGENOOAVSA-N
XLogP4.54
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647620
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-[2-chloro-5-methyl-4-[2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197912
2-methoxy-N-phenylaniline
CID 10910514
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline
CID 91446132
N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 175763414
N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650
N'-[2-cyclopropyl-4-(2-fluorophenoxy)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135123496
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
N'-[5-bromo-6-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003718
N'-ethyl-N-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 143024311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide (CID 150769189) is N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide is CCN(C)/C=N/c1ccc(Nc2ccccc2OC)c2c1CCC2.
What is the InChIKey of N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide?
The InChIKey is JZMRYHHMLRVDLB-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-23(2)14-21-17-12-13-18(16-9-7-8-15(16)17)22-19-10-5-6-11-20(19)24-3/h5-6,10-14,22H,4,7-9H2,1-3H3/b21-14+.
What are the key properties of N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide?
N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide has a molecular weight of 323.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide is sourced from PubChem (CID 150769189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).