N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine

C18H29NO — CID 103273818

IUPACN-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cc(C)cc(C)c2C)CCC1
InChIInChI=1S/C18H29NO/c1-5-10-19-11-9-18(7-6-8-18)20-17-13-14(2)12-15(3)16(17)4/h12-13,19H,5-11H2,1-4H3
InChIKeyDZACFCMGYCWEAQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.30
Rot. Bonds7

About N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273818) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273818
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cc(C)cc(C)c2C)CCC1
InChIInChI=1S/C18H29NO/c1-5-10-19-11-9-18(7-6-8-18)20-17-13-14(2)12-15(3)16(17)4/h12-13,19H,5-11H2,1-4H3
InChIKeyDZACFCMGYCWEAQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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

N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273491
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273476
N-ethyl-2-[1-(2,4,5-trichlorophenoxy)cyclobutyl]ethanamine
CID 103273417
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273388
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273824
N-[2-[1-(3-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273876
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 79626726

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273818) is N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(Oc2cc(C)cc(C)c2C)CCC1.
What is the InChIKey of N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is DZACFCMGYCWEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-10-19-11-9-18(7-6-8-18)20-17-13-14(2)12-15(3)16(17)4/h12-13,19H,5-11H2,1-4H3.
What are the key properties of N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).