N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine

C18H29NO — CID 103273497

IUPACN-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2(CCNCC(C)C)CCC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-14(2)13-19-11-10-18(8-5-9-18)20-17-7-6-15(3)12-16(17)4/h6-7,12,14,19H,5,8-11,13H2,1-4H3
InChIKeyNFIPGQIBGQFTRZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds7

About N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine

N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine (PubChem CID 103273497) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
PubChem CID103273497
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2(CCNCC(C)C)CCC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-14(2)13-19-11-10-18(8-5-9-18)20-17-7-6-15(3)12-16(17)4/h6-7,12,14,19H,5,8-11,13H2,1-4H3
InChIKeyNFIPGQIBGQFTRZ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
N-[2-[1-(4-fluoro-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274345
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273818
1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
CID 126974003
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272972
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
CID 103273552

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine (CID 103273497) is N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine is Cc1ccc(OC2(CCNCC(C)C)CCC2)c(C)c1.
What is the InChIKey of N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is NFIPGQIBGQFTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)13-19-11-10-18(8-5-9-18)20-17-7-6-15(3)12-16(17)4/h6-7,12,14,19H,5,8-11,13H2,1-4H3.
What are the key properties of N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine?
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103273497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).