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

C16H24BrNO — CID 107285808

IUPACN-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCc1ccc(Br)cc1OC1(CCNC(C)C)CCC1
InChIInChI=1S/C16H24BrNO/c1-12(2)18-10-9-16(7-4-8-16)19-15-11-14(17)6-5-13(15)3/h5-6,11-12,18H,4,7-10H2,1-3H3
InChIKeyVYWWWIWTFIKEKK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.45
Rot. Bonds6

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

N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 107285808) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID107285808
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCc1ccc(Br)cc1OC1(CCNC(C)C)CCC1
InChIInChI=1S/C16H24BrNO/c1-12(2)18-10-9-16(7-4-8-16)19-15-11-14(17)6-5-13(15)3/h5-6,11-12,18H,4,7-10H2,1-3H3
InChIKeyVYWWWIWTFIKEKK-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine (CID 107285808) is N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine is Cc1ccc(Br)cc1OC1(CCNC(C)C)CCC1.
What is the InChIKey of N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is VYWWWIWTFIKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(2)18-10-9-16(7-4-8-16)19-15-11-14(17)6-5-13(15)3/h5-6,11-12,18H,4,7-10H2,1-3H3.
What are the key properties of N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine?
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.45, 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-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 107285808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).