1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine

C14H21N3O — CID 110031689

IUPAC1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
SMILESCc1cccc(C(O)C/N=C(\N)N(C)C2CC2)c1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(8-10)13(18)9-16-14(15)17(2)12-6-7-12/h3-5,8,12-13,18H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyNWVCCYMGMMUVMK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.44
Rot. Bonds4

About 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine

1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine (PubChem CID 110031689) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
PubChem CID110031689
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
SMILESCc1cccc(C(O)C/N=C(\N)N(C)C2CC2)c1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(8-10)13(18)9-16-14(15)17(2)12-6-7-12/h3-5,8,12-13,18H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyNWVCCYMGMMUVMK-UHFFFAOYSA-N
XLogP1.44
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide
CID 126487884
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-1-methylguanidine
CID 129398569
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
CID 110029656
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110029655
1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
tert-butyl N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-1-phenylethyl]carbamate
CID 110031103
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine (CID 110031689) is 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine is Cc1cccc(C(O)C/N=C(\N)N(C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine?
The InChIKey is NWVCCYMGMMUVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-11(8-10)13(18)9-16-14(15)17(2)12-6-7-12/h3-5,8,12-13,18H,6-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine?
1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine has a molecular weight of 247.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine is sourced from PubChem (CID 110031689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).