2-[4-(3-phenylmethoxyphenyl)butyl]guanidine

C18H23N3O — CID 158768740

IUPAC2-[4-(3-phenylmethoxyphenyl)butyl]guanidine
SMILESNC(N)=NCCCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c19-18(20)21-12-5-4-7-15-10-6-11-17(13-15)22-14-16-8-2-1-3-9-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H4,19,20,21)
InChIKeyJPMUFRIECFXVNM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.86
Rot. Bonds8

About 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine

2-[4-(3-phenylmethoxyphenyl)butyl]guanidine (PubChem CID 158768740) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine.

Molecular Properties

Compound Name2-[4-(3-phenylmethoxyphenyl)butyl]guanidine
PubChem CID158768740
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-(3-phenylmethoxyphenyl)butyl]guanidine
SMILESNC(N)=NCCCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c19-18(20)21-12-5-4-7-15-10-6-11-17(13-15)22-14-16-8-2-1-3-9-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H4,19,20,21)
InChIKeyJPMUFRIECFXVNM-UHFFFAOYSA-N
XLogP2.86
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxy-3-propylbenzene
CID 58977798
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1,1-diethyl-2-[2-[3-(3-phenylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111807463
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
CID 70510799
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-hydroxy-1,1-diphenyl-7-(3-phenylmethoxyphenyl)hept-2-yn-4-one
CID 139825799
2-[2-[4-[[3-[[4-[2-(diaminomethylideneamino)ethyl]phenoxy]methyl]phenyl]methoxy]phenyl]ethyl]guanidine;2,2,2-trifluoroacetic acid
CID 118715671
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
(1E)-N-(diaminomethylideneamino)-3-phenylmethoxybenzenecarboximidoyl cyanide
CID 123660195
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine?
The IUPAC name of 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine (CID 158768740) is 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine.
What is the SMILES notation for 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine?
The canonical SMILES for 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine is NC(N)=NCCCCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine?
The InChIKey is JPMUFRIECFXVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-18(20)21-12-5-4-7-15-10-6-11-17(13-15)22-14-16-8-2-1-3-9-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H4,19,20,21).
What are the key properties of 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine?
2-[4-(3-phenylmethoxyphenyl)butyl]guanidine has a molecular weight of 297.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylmethoxyphenyl)butyl]guanidine is sourced from PubChem (CID 158768740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).