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

C16H22ClNO — CID 103274216

IUPACN-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCc1ccc(Cl)cc1OC1(CCNC2CC2)CCC1
InChIInChI=1S/C16H22ClNO/c1-12-3-4-13(17)11-15(12)19-16(7-2-8-16)9-10-18-14-5-6-14/h3-4,11,14,18H,2,5-10H2,1H3
InChIKeyMSBNEZSGYVKXLB-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.09
Rot. Bonds6

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

N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103274216) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103274216
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCc1ccc(Cl)cc1OC1(CCNC2CC2)CCC1
InChIInChI=1S/C16H22ClNO/c1-12-3-4-13(17)11-15(12)19-16(7-2-8-16)9-10-18-14-5-6-14/h3-4,11,14,18H,2,5-10H2,1H3
InChIKeyMSBNEZSGYVKXLB-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274410
N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273491
N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273773
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274011
N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273919
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
CID 167839312

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103274216) is N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine is Cc1ccc(Cl)cc1OC1(CCNC2CC2)CCC1.
What is the InChIKey of N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is MSBNEZSGYVKXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-3-4-13(17)11-15(12)19-16(7-2-8-16)9-10-18-14-5-6-14/h3-4,11,14,18H,2,5-10H2,1H3.
What are the key properties of N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103274216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).