2-[2-(4-pentoxyphenyl)ethyl]guanidine

C14H23N3O — CID 161155288

IUPAC2-[2-(4-pentoxyphenyl)ethyl]guanidine
SMILESCCCCCOc1ccc(CCN=C(N)N)cc1
InChIInChI=1S/C14H23N3O/c1-2-3-4-11-18-13-7-5-12(6-8-13)9-10-17-14(15)16/h5-8H,2-4,9-11H2,1H3,(H4,15,16,17)
InChIKeyUPFGKLBIWCGVRY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.07
Rot. Bonds8

About 2-[2-(4-pentoxyphenyl)ethyl]guanidine

2-[2-(4-pentoxyphenyl)ethyl]guanidine (PubChem CID 161155288) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(4-pentoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-pentoxyphenyl)ethyl]guanidine
PubChem CID161155288
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-(4-pentoxyphenyl)ethyl]guanidine
SMILESCCCCCOc1ccc(CCN=C(N)N)cc1
InChIInChI=1S/C14H23N3O/c1-2-3-4-11-18-13-7-5-12(6-8-13)9-10-17-14(15)16/h5-8H,2-4,9-11H2,1H3,(H4,15,16,17)
InChIKeyUPFGKLBIWCGVRY-UHFFFAOYSA-N
XLogP2.07
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.07
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-hexoxy-4-pentylbenzene
CID 54277450
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1-nonoxy-4-propylbenzene
CID 118632119
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride
CID 22618781
N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
2-[2-[4-[[2,4,5-tris[[4-[2-(diaminomethylideneamino)ethyl]phenoxy]methyl]phenyl]methoxy]phenyl]ethyl]guanidine
CID 118715677
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1,4-dipentoxybenzene
CID 18314717
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pentoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(4-pentoxyphenyl)ethyl]guanidine (CID 161155288) is 2-[2-(4-pentoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(4-pentoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(4-pentoxyphenyl)ethyl]guanidine is CCCCCOc1ccc(CCN=C(N)N)cc1.
What is the InChIKey of 2-[2-(4-pentoxyphenyl)ethyl]guanidine?
The InChIKey is UPFGKLBIWCGVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-4-11-18-13-7-5-12(6-8-13)9-10-17-14(15)16/h5-8H,2-4,9-11H2,1H3,(H4,15,16,17).
What are the key properties of 2-[2-(4-pentoxyphenyl)ethyl]guanidine?
2-[2-(4-pentoxyphenyl)ethyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pentoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 161155288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).