N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide

C17H20N2O — CID 525856

IUPACN'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
SMILESCOc1ccc(/N=C(/Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)17(13-14-7-5-4-6-8-14)18-15-9-11-16(20-3)12-10-15/h4-12H,13H2,1-3H3/b18-17-
InChIKeyPRDQYWSGQKDILG-ZCXUNETKSA-N
MW268.36 g/mol
LogP3.53
Rot. Bonds4

About N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide

N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide (PubChem CID 525856) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
PubChem CID525856
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
SMILESCOc1ccc(/N=C(/Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)17(13-14-7-5-4-6-8-14)18-15-9-11-16(20-3)12-10-15/h4-12H,13H2,1-3H3/b18-17-
InChIKeyPRDQYWSGQKDILG-ZCXUNETKSA-N
XLogP3.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-dimethyl-N',2-diphenylethanimidamide
CID 525868
4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine
CID 145427555
CID 19881367
CID 19881367
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
N'-(4-methoxyphenyl)-N,N,2,2-tetramethylpropanimidamide
CID 525889
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate
CID 134893890
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
CID 61362567
benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate
CID 17256377
3-(4-methoxyphenyl)prop-1-en-2-yl-phenyldiazene
CID 134857229

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide?
The IUPAC name of N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide (CID 525856) is N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide is COc1ccc(/N=C(/Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide?
The InChIKey is PRDQYWSGQKDILG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)17(13-14-7-5-4-6-8-14)18-15-9-11-16(20-3)12-10-15/h4-12H,13H2,1-3H3/b18-17-.
What are the key properties of N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide?
N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide has a molecular weight of 268.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide is sourced from PubChem (CID 525856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).