2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine

C18H27N3O2 — CID 99853963

IUPAC2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine
SMILESCOc1cccc(C/N=C(\N)N(C)C2CC2)c1OC1CCCC1
InChIInChI=1S/C18H27N3O2/c1-21(14-10-11-14)18(19)20-12-13-6-5-9-16(22-2)17(13)23-15-7-3-4-8-15/h5-6,9,14-15H,3-4,7-8,10-12H2,1-2H3,(H2,19,20)
InChIKeyDVVKLISVRSPPAS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.93
Rot. Bonds6

About 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine

2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 99853963) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine
PubChem CID99853963
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine
SMILESCOc1cccc(C/N=C(\N)N(C)C2CC2)c1OC1CCCC1
InChIInChI=1S/C18H27N3O2/c1-21(14-10-11-14)18(19)20-12-13-6-5-9-16(22-2)17(13)23-15-7-3-4-8-15/h5-6,9,14-15H,3-4,7-8,10-12H2,1-2H3,(H2,19,20)
InChIKeyDVVKLISVRSPPAS-UHFFFAOYSA-N
XLogP2.93
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[2-(Cyclopentyloxy)-3-methoxyphenyl]methanamine
CID 43471488
2-[(2,3-Dimethoxyphenyl)methyl]guanidine
CID 44158320
1-Cyclopropyl-3-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylguanidine
CID 75495049
1-Cyclopropyl-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-2-methylguanidine
CID 75512772
1-Cyclopropyl-2-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(3-methoxypropyl)guanidine
CID 75532716
N-[(2,3-dimethoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 76312844
1-[(2S)-2-cyanopropyl]-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-methylguanidine
CID 97055945
1-[[2-(2-Ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine
CID 100643243
1-[[2-(Difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
CID 75469869
1-[[2-(Difluoromethoxy)-3-ethoxyphenyl]methyl]-2,3-dimethylguanidine
CID 75495047
5-[4-(Difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79498489
5-[4-(Difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 79509155

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine (CID 99853963) is 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine is COc1cccc(C/N=C(\N)N(C)C2CC2)c1OC1CCCC1.
What is the InChIKey of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is DVVKLISVRSPPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(14-10-11-14)18(19)20-12-13-6-5-9-16(22-2)17(13)23-15-7-3-4-8-15/h5-6,9,14-15H,3-4,7-8,10-12H2,1-2H3,(H2,19,20).
What are the key properties of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine?
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 317.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 99853963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).