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

C15H21Cl2NO — CID 103273491

IUPACN-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cc(Cl)ccc2Cl)CCC1
InChIInChI=1S/C15H21Cl2NO/c1-2-9-18-10-8-15(6-3-7-15)19-14-11-12(16)4-5-13(14)17/h4-5,11,18H,2-3,6-10H2,1H3
InChIKeyMJJQWARKTOLFTN-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.68
Rot. Bonds7

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

N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273491) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273491
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cc(Cl)ccc2Cl)CCC1
InChIInChI=1S/C15H21Cl2NO/c1-2-9-18-10-8-15(6-3-7-15)19-14-11-12(16)4-5-13(14)17/h4-5,11,18H,2-3,6-10H2,1H3
InChIKeyMJJQWARKTOLFTN-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.68
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-[3-(2,5-Dichlorophenoxy)propylamino]ethanol
CID 2865584
N-[3-(2,3-dichlorophenoxy)propyl]-1-butanamine
CID 2248430
1-[2-(2,5-Dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
N-[3-(3-chlorophenoxy)propyl]-1-butanamine
CID 2250946
1-[4-(2,5-Dichlorophenoxy)butyl]piperazine oxalate
CID 2299434
4-(2-Chlorophenoxy)piperidine hydrochloride
CID 16732589
4-(2-chlorophenoxy)-N-methylbutan-1-amine;hydrochloride
CID 12660409
N-[3-(2,5-dichlorophenoxy)propyl]butan-1-amine
CID 2263128
N-(tert-butyl)-4-(2-chlorophenoxy)-1-butanamine
CID 2247528
N-{2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl}-2-methyl-2-propanamine hydrochloride
CID 2280936
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2934612
(3S)-3-(2-chloro-4-fluorophenoxy)-N-methylhexan-1-amine
CID 11529020

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273491) is N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(Oc2cc(Cl)ccc2Cl)CCC1.
What is the InChIKey of N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is MJJQWARKTOLFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-9-18-10-8-15(6-3-7-15)19-14-11-12(16)4-5-13(14)17/h4-5,11,18H,2-3,6-10H2,1H3.
What are the key properties of N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).