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

C14H21FN4 — CID 116511110

IUPAC1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
SMILESCc1cc(N/C(=N/C2CCCCC2)NN)ccc1F
InChIInChI=1S/C14H21FN4/c1-10-9-12(7-8-13(10)15)18-14(19-16)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyCNCITMYLXWCGEH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.70
Rot. Bonds2

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

1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine (PubChem CID 116511110) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
PubChem CID116511110
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
SMILESCc1cc(N/C(=N/C2CCCCC2)NN)ccc1F
InChIInChI=1S/C14H21FN4/c1-10-9-12(7-8-13(10)15)18-14(19-16)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyCNCITMYLXWCGEH-UHFFFAOYSA-N
XLogP2.70
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-methoxyphenyl)guanidine
CID 114841236
1-amino-2-cyclohexyl-3-(2,5-difluoro-4-methylphenyl)guanidine
CID 103587960
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705
1-amino-3-(3-chloro-4-fluorophenyl)-2-cyclopropylguanidine
CID 116511301
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-3-(4-bromo-5-fluoro-2-methylphenyl)-2-cyclopentylguanidine
CID 116516504

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine (CID 116511110) is 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine is Cc1cc(N/C(=N/C2CCCCC2)NN)ccc1F.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine?
The InChIKey is CNCITMYLXWCGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-10-9-12(7-8-13(10)15)18-14(19-16)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine?
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine has a molecular weight of 264.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine is sourced from PubChem (CID 116511110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).