1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine

C19H22ClN3 — CID 139338223

IUPAC1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine
SMILESN/C(=N\C1CCC(c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3/c20-16-7-4-8-18(13-16)23-19(21)22-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-8,13,15,17H,9-12H2,(H3,21,22,23)
InChIKeyFLVXYZWNQQKSJY-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.79
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine

1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine (PubChem CID 139338223) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine
PubChem CID139338223
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine
SMILESN/C(=N\C1CCC(c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3/c20-16-7-4-8-18(13-16)23-19(21)22-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-8,13,15,17H,9-12H2,(H3,21,22,23)
InChIKeyFLVXYZWNQQKSJY-UHFFFAOYSA-N
XLogP4.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
CID 18622151
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
CID 107638204
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
N-(3-chlorophenyl)-2-[4-(4-hydroxyphenyl)cyclohexyl]ethanethioamide
CID 118569589
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
CID 79970774
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine (CID 139338223) is 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine is N/C(=N\C1CCC(c2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine?
The InChIKey is FLVXYZWNQQKSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c20-16-7-4-8-18(13-16)23-19(21)22-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-8,13,15,17H,9-12H2,(H3,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine?
1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine has a molecular weight of 327.86 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-phenylcyclohexyl)guanidine is sourced from PubChem (CID 139338223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).