N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

C18H29NO — CID 81021831

IUPACN-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C)cc1CC1CCC1CNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-13-6-9-17(20-5)16(10-13)11-14-7-8-15(14)12-19-18(2,3)4/h6,9-10,14-15,19H,7-8,11-12H2,1-5H3
InChIKeySCPICTICDBRYMR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.96
Rot. Bonds5

About N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81021831) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81021831
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C)cc1CC1CCC1CNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-13-6-9-17(20-5)16(10-13)11-14-7-8-15(14)12-19-18(2,3)4/h6,9-10,14-15,19H,7-8,11-12H2,1-5H3
InChIKeySCPICTICDBRYMR-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
CID 83196810
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017189
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65196166
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81021831) is N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is COc1ccc(C)cc1CC1CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SCPICTICDBRYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-6-9-17(20-5)16(10-13)11-14-7-8-15(14)12-19-18(2,3)4/h6,9-10,14-15,19H,7-8,11-12H2,1-5H3.
What are the key properties of N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81021831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).