2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C17H27NO — CID 115826565

IUPAC2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H27NO/c1-11-7-8-14(19-6)12(9-11)10-13(18)15-16(2,3)17(15,4)5/h7-9,13,15H,10,18H2,1-6H3
InChIKeyKZRLLUMLWKEBLY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 115826565) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID115826565
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H27NO/c1-11-7-8-14(19-6)12(9-11)10-13(18)15-16(2,3)17(15,4)5/h7-9,13,15H,10,18H2,1-6H3
InChIKeyKZRLLUMLWKEBLY-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826696
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
4,4,4-trifluoro-1-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311787
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 115826565) is 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is COc1ccc(C)cc1CC(N)C1C(C)(C)C1(C)C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is KZRLLUMLWKEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-7-8-14(19-6)12(9-11)10-13(18)15-16(2,3)17(15,4)5/h7-9,13,15H,10,18H2,1-6H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 115826565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).