N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine

C16H24ClNO — CID 103273857

IUPACN-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cc(C)ccc2Cl)CCC1
InChIInChI=1S/C16H24ClNO/c1-3-10-18-11-9-16(7-4-8-16)19-15-12-13(2)5-6-14(15)17/h5-6,12,18H,3-4,7-11H2,1-2H3
InChIKeyGWIQIPPDAQTBFB-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.34
Rot. Bonds7

About N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273857) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273857
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cc(C)ccc2Cl)CCC1
InChIInChI=1S/C16H24ClNO/c1-3-10-18-11-9-16(7-4-8-16)19-15-12-13(2)5-6-14(15)17/h5-6,12,18H,3-4,7-11H2,1-2H3
InChIKeyGWIQIPPDAQTBFB-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.34
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-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273491
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273818
N-ethyl-2-[1-(2,4,5-trichlorophenoxy)cyclobutyl]ethanamine
CID 103273417
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273476
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
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273824
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate
CID 103272729

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273857) is N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(Oc2cc(C)ccc2Cl)CCC1.
What is the InChIKey of N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is GWIQIPPDAQTBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-10-18-11-9-16(7-4-8-16)19-15-12-13(2)5-6-14(15)17/h5-6,12,18H,3-4,7-11H2,1-2H3.
What are the key properties of N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.34, 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-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).