1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine

C14H21FN4O — CID 114841236

IUPAC1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
SMILESCOc1cc(N/C(=N/C2CCCCC2)NN)ccc1F
InChIInChI=1S/C14H21FN4O/c1-20-13-9-11(7-8-12(13)15)18-14(19-16)17-10-5-3-2-4-6-10/h7-10H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyIDGRKCAICKDFDJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.40
Rot. Bonds3

About 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine

1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine (PubChem CID 114841236) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
PubChem CID114841236
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
SMILESCOc1cc(N/C(=N/C2CCCCC2)NN)ccc1F
InChIInChI=1S/C14H21FN4O/c1-20-13-9-11(7-8-12(13)15)18-14(19-16)17-10-5-3-2-4-6-10/h7-10H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyIDGRKCAICKDFDJ-UHFFFAOYSA-N
XLogP2.40
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239
N-amino-N'-cyclohexyl-4-fluoro-3-methoxybenzenecarboximidamide
CID 81284145
1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
CID 116514289
1-amino-3-(3-bromo-4-methoxyphenyl)-2-cyclopropylguanidine
CID 116515381
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-amino-3-(3-chloro-4-fluorophenyl)-2-cyclopropylguanidine
CID 116511301
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine (CID 114841236) is 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine is COc1cc(N/C(=N/C2CCCCC2)NN)ccc1F.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine?
The InChIKey is IDGRKCAICKDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-20-13-9-11(7-8-12(13)15)18-14(19-16)17-10-5-3-2-4-6-10/h7-10H,2-6,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine?
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine has a molecular weight of 280.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine is sourced from PubChem (CID 114841236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).