N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide

C19H21ClN4 — CID 174951870

IUPACN'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C#N)c(Cc2cccc(Cl)c2)cc1CN
InChIInChI=1S/C19H21ClN4/c1-3-24(2)13-23-19-10-16(11-21)15(9-17(19)12-22)7-14-5-4-6-18(20)8-14/h4-6,8-10,13H,3,7,12,22H2,1-2H3/b23-13+
InChIKeyUTWMHBQIQPMQOU-YDZHTSKRSA-N
MW340.86 g/mol
LogP3.87
Rot. Bonds6

About N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 174951870) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID174951870
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC NameN'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C#N)c(Cc2cccc(Cl)c2)cc1CN
InChIInChI=1S/C19H21ClN4/c1-3-24(2)13-23-19-10-16(11-21)15(9-17(19)12-22)7-14-5-4-6-18(20)8-14/h4-6,8-10,13H,3,7,12,22H2,1-2H3/b23-13+
InChIKeyUTWMHBQIQPMQOU-YDZHTSKRSA-N
XLogP3.87
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.87
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-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197821
N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647984
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 139558679
N'-[4-[(3-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 151932183
N'-[6-[(3-chlorophenyl)methylsulfonyl-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034755
N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
CID 121318687
N-ethyl-N'-[5-fluoro-2-methyl-3-[(3-nitrophenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647707
2-amino-3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 104716421
N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647900
(3-methylphenyl)methyl 5-chloro-3-[[ethyl(methyl)amino]methylideneamino]-2-methylbenzoate
CID 178171831
N'-[4-(3-chloro-N-methylanilino)-2-fluoro-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 151658786
N'-[4-[2-(3-chloro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142458820

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide (CID 174951870) is N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C#N)c(Cc2cccc(Cl)c2)cc1CN.
What is the InChIKey of N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UTWMHBQIQPMQOU-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-3-24(2)13-23-19-10-16(11-21)15(9-17(19)12-22)7-14-5-4-6-18(20)8-14/h4-6,8-10,13H,3,7,12,22H2,1-2H3/b23-13+.
What are the key properties of N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 340.86 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 174951870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).