4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide

C19H25N3O — CID 23314675

IUPAC4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide
SMILESC/N=C(\NC)c1ccc(CCc2ccc(CN)cc2OC)cc1
InChIInChI=1S/C19H25N3O/c1-21-19(22-2)17-10-5-14(6-11-17)4-8-16-9-7-15(13-20)12-18(16)23-3/h5-7,9-12H,4,8,13,20H2,1-3H3,(H,21,22)
InChIKeyMRLQFCMVOBLWAZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.53
Rot. Bonds6

About 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide

4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide (PubChem CID 23314675) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide
PubChem CID23314675
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide
SMILESC/N=C(\NC)c1ccc(CCc2ccc(CN)cc2OC)cc1
InChIInChI=1S/C19H25N3O/c1-21-19(22-2)17-10-5-14(6-11-17)4-8-16-9-7-15(13-20)12-18(16)23-3/h5-7,9-12H,4,8,13,20H2,1-3H3,(H,21,22)
InChIKeyMRLQFCMVOBLWAZ-UHFFFAOYSA-N
XLogP2.53
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
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

4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide
CID 23315182
4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
CID 91450570
4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N'-(pyridin-2-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 23315122
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
CID 172870671
2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
methyl 4-[2-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxyphenyl]ethyl]benzoate
CID 171933762
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
CID 172870584
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide?
The IUPAC name of 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide (CID 23314675) is 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide is C/N=C(\NC)c1ccc(CCc2ccc(CN)cc2OC)cc1.
What is the InChIKey of 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide?
The InChIKey is MRLQFCMVOBLWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21-19(22-2)17-10-5-14(6-11-17)4-8-16-9-7-15(13-20)12-18(16)23-3/h5-7,9-12H,4,8,13,20H2,1-3H3,(H,21,22).
What are the key properties of 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide?
4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide has a molecular weight of 311.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide is sourced from PubChem (CID 23314675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).