2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine

C16H19N3O — CID 51131488

IUPAC2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C16H19N3O/c17-16(18)19-10-13-6-8-15(9-7-13)12-20-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H4,17,18,19)
InChIKeyJATFPXTVFKLWSZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine

2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine (PubChem CID 51131488) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine
PubChem CID51131488
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C16H19N3O/c17-16(18)19-10-13-6-8-15(9-7-13)12-20-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H4,17,18,19)
InChIKeyJATFPXTVFKLWSZ-UHFFFAOYSA-N
XLogP2.18
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-Benzyl(ethoxy)phenylethanimidamide
CID 47199
Guanidine, (2-benzhydryloxyethyl)-
CID 52534
(4-(Ethoxymethyl)phenyl)methanamine
CID 16784161
[4-(Methoxymethyl)phenyl]methanamine
CID 16790827
N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 51131466
1-[[4-(Phenylmethoxymethyl)phenyl]methyl]piperidine
CID 49823767
benzyl N-(N'-benzylcarbamimidoyl)carbamate
CID 53475287
4-((Benzyloxy)methyl)benzene-1-carboximidamide hydrochloride
CID 47002447
Sbb046022
CID 12175527
benzyl (NZ)-N-[amino-[4-(aminomethyl)phenyl]methylidene]carbamate
CID 11121820
Aminobenzyl ether
CID 21966880
benzyl (NE)-N-[amino-[4-(aminomethyl)phenyl]methylidene]carbamate;hydrochloride
CID 22556016

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine (CID 51131488) is 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine is NC(N)=NCc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine?
The InChIKey is JATFPXTVFKLWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-16(18)19-10-13-6-8-15(9-7-13)12-20-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H4,17,18,19).
What are the key properties of 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine?
2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 51131488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).