2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine

C14H23FN4 — CID 110032256

IUPAC2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCCNc1cccc(F)c1)N(C)C
InChIInChI=1S/C14H23FN4/c1-18(2)14(19(3)4)17-10-6-9-16-13-8-5-7-12(15)11-13/h5,7-8,11,16H,6,9-10H2,1-4H3
InChIKeyUHHROOLPAWKFCM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.11
Rot. Bonds5

About 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine

2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine (PubChem CID 110032256) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine
PubChem CID110032256
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCCNc1cccc(F)c1)N(C)C
InChIInChI=1S/C14H23FN4/c1-18(2)14(19(3)4)17-10-6-9-16-13-8-5-7-12(15)11-13/h5,7-8,11,16H,6,9-10H2,1-4H3
InChIKeyUHHROOLPAWKFCM-UHFFFAOYSA-N
XLogP2.11
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
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-(3,4-dimethoxyphenyl)-2-[3-(3-fluoroanilino)propyl]guanidine
CID 110032208
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561317
5-(3-fluoroanilino)-2,2-dimethylpentanenitrile
CID 65256904
N'-[3-(3-fluoroanilino)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 110032223
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 75454991
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
3-fluoro-N-pent-3-ynylaniline
CID 104744056
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine (CID 110032256) is 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCCCNc1cccc(F)c1)N(C)C.
What is the InChIKey of 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is UHHROOLPAWKFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-18(2)14(19(3)4)17-10-6-9-16-13-8-5-7-12(15)11-13/h5,7-8,11,16H,6,9-10H2,1-4H3.
What are the key properties of 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine?
2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 266.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 110032256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).