2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine

C16H27N3O — CID 97328084

IUPAC2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1ccc(C[C@@H](C)CN=C(N(C)C)N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-13(12-17-16(18(2)3)19(4)5)11-14-7-9-15(20-6)10-8-14/h7-10,13H,11-12H2,1-6H3/t13-/m1/s1
InChIKeyMGNICCFWITUGLF-CYBMUJFWSA-N
MW277.41 g/mol
LogP2.35
Rot. Bonds5

About 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine

2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine (PubChem CID 97328084) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
PubChem CID97328084
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1ccc(C[C@@H](C)CN=C(N(C)C)N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-13(12-17-16(18(2)3)19(4)5)11-14-7-9-15(20-6)10-8-14/h7-10,13H,11-12H2,1-6H3/t13-/m1/s1
InChIKeyMGNICCFWITUGLF-CYBMUJFWSA-N
XLogP2.35
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
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

2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111024094
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
CID 101070141
2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
CID 122147349
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
2-[[(butan-2-ylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035543
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine (CID 97328084) is 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine is COc1ccc(C[C@@H](C)CN=C(N(C)C)N(C)C)cc1.
What is the InChIKey of 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is MGNICCFWITUGLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(12-17-16(18(2)3)19(4)5)11-14-7-9-15(20-6)10-8-14/h7-10,13H,11-12H2,1-6H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine?
2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 277.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 97328084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).