1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide

C14H24IN3O — CID 110920131

IUPAC1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCc1cccc(OC)c1.I
InChIInChI=1S/C14H23N3O.HI/c1-4-11(2)17-14(15)16-9-8-12-6-5-7-13(10-12)18-3;/h5-7,10-11H,4,8-9H2,1-3H3,(H3,15,16,17);1H
InChIKeyHJWKYNBKCDNCOP-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.56
Rot. Bonds6

About 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide

1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 110920131) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID110920131
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCc1cccc(OC)c1.I
InChIInChI=1S/C14H23N3O.HI/c1-4-11(2)17-14(15)16-9-8-12-6-5-7-13(10-12)18-3;/h5-7,10-11H,4,8-9H2,1-3H3,(H3,15,16,17);1H
InChIKeyHJWKYNBKCDNCOP-UHFFFAOYSA-N
XLogP2.56
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.56
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
1-(1-methoxypropan-2-yl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077790
1-amino-2-[2-(3-methoxyphenyl)ethyl]-3-propan-2-ylguanidine
CID 114009531
N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanimidamide
CID 114009617
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-butan-2-yl-2-[3-(4-methoxyphenoxy)propyl]guanidine
CID 110921001
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046955
1-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)propyl]guanidine
CID 111099326
2-[2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111046942

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide (CID 110920131) is 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide is CCC(C)N/C(N)=N/CCc1cccc(OC)c1.I.
What is the InChIKey of 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is HJWKYNBKCDNCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-4-11(2)17-14(15)16-9-8-12-6-5-7-13(10-12)18-3;/h5-7,10-11H,4,8-9H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110920131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).