2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine

C20H25N3O — CID 134122012

IUPAC2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine
SMILESCC(CCc1ccccc1)N/C(=N\C1CC1)Nc1ccccc1O
InChIInChI=1S/C20H25N3O/c1-15(11-12-16-7-3-2-4-8-16)21-20(22-17-13-14-17)23-18-9-5-6-10-19(18)24/h2-10,15,17,24H,11-14H2,1H3,(H2,21,22,23)
InChIKeyGESGYVOZAZZTCN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.93
Rot. Bonds6

About 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine

2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine (PubChem CID 134122012) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine
PubChem CID134122012
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine
SMILESCC(CCc1ccccc1)N/C(=N\C1CC1)Nc1ccccc1O
InChIInChI=1S/C20H25N3O/c1-15(11-12-16-7-3-2-4-8-16)21-20(22-17-13-14-17)23-18-9-5-6-10-19(18)24/h2-10,15,17,24H,11-14H2,1H3,(H2,21,22,23)
InChIKeyGESGYVOZAZZTCN-UHFFFAOYSA-N
XLogP3.93
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
CID 19651854
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
1-(2-fluorophenyl)-3-[(2S)-4-phenylbutan-2-yl]thiourea
CID 8668898
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172033
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine (CID 134122012) is 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine is CC(CCc1ccccc1)N/C(=N\C1CC1)Nc1ccccc1O.
What is the InChIKey of 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine?
The InChIKey is GESGYVOZAZZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(11-12-16-7-3-2-4-8-16)21-20(22-17-13-14-17)23-18-9-5-6-10-19(18)24/h2-10,15,17,24H,11-14H2,1H3,(H2,21,22,23).
What are the key properties of 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine?
2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 134122012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).