2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine

C20H25N3 — CID 111810562

IUPAC2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1
InChIInChI=1S/C20H25N3/c1-14(2)16-9-6-10-18(11-16)23-20(21)22-13-17-12-19(17)15-7-4-3-5-8-15/h3-11,14,17,19H,12-13H2,1-2H3,(H3,21,22,23)
InChIKeyCHKNDKFBEDOZQN-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.34
Rot. Bonds5

About 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine

2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111810562) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111810562
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1
InChIInChI=1S/C20H25N3/c1-14(2)16-9-6-10-18(11-16)23-20(21)22-13-17-12-19(17)15-7-4-3-5-8-15/h3-11,14,17,19H,12-13H2,1-2H3,(H3,21,22,23)
InChIKeyCHKNDKFBEDOZQN-UHFFFAOYSA-N
XLogP4.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.34
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-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810616
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111043614
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111065554
1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810564
2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 120671972
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111810562) is 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CC2CC2c2ccccc2)c1.
What is the InChIKey of 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is CHKNDKFBEDOZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-14(2)16-9-6-10-18(11-16)23-20(21)22-13-17-12-19(17)15-7-4-3-5-8-15/h3-11,14,17,19H,12-13H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 307.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111810562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).