1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C17H27N — CID 115850452

IUPAC1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cccc(C)c1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H27N/c1-11-9-8-10-13(12(11)2)14(18-7)15-16(3,4)17(15,5)6/h8-10,14-15,18H,1-7H3
InChIKeyUAKWIHGRHCNAFU-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 115850452) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID115850452
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cccc(C)c1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H27N/c1-11-9-8-10-13(12(11)2)14(18-7)15-16(3,4)17(15,5)6/h8-10,14-15,18H,1-7H3
InChIKeyUAKWIHGRHCNAFU-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115791618
1-(2,5-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66477637
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 115850284
[(2,2-dimethylcyclopropyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 107005641
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 81473394
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
1-(2,3-dimethylphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 115850460
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 66478016
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 115850452) is 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1cccc(C)c1C)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is UAKWIHGRHCNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11-9-8-10-13(12(11)2)14(18-7)15-16(3,4)17(15,5)6/h8-10,14-15,18H,1-7H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 115850452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).