[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone

C16H23NO — CID 116921362

IUPAC[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone
SMILESCNCC1(C(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C16H23NO/c1-10-8-11(2)13(4)14(12(10)3)15(18)16(6-7-16)9-17-5/h8,17H,6-7,9H2,1-5H3
InChIKeyUPEHTUHKPMDJOD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.10
Rot. Bonds4

About [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone

[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 116921362) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID116921362
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone
SMILESCNCC1(C(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C16H23NO/c1-10-8-11(2)13(4)14(12(10)3)15(18)16(6-7-16)9-17-5/h8,17H,6-7,9H2,1-5H3
InChIKeyUPEHTUHKPMDJOD-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711
(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921451
(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921363
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921337
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
CID 116921365
N-(4-methoxy-3,5-dimethylphenyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182914
N-methyl-1-(methylaminomethyl)-N-(2,3,4-trimethylphenyl)cyclopropane-1-carboxamide
CID 115182984
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182238
(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921712
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661

Frequently Asked Questions

What is the IUPAC name of [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone (CID 116921362) is [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone is CNCC1(C(=O)c2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is UPEHTUHKPMDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-8-11(2)13(4)14(12(10)3)15(18)16(6-7-16)9-17-5/h8,17H,6-7,9H2,1-5H3.
What are the key properties of [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone?
[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 116921362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).