1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine

C14H18BrNO — CID 117477319

IUPAC1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
SMILESNC1(c2cccc(Br)c2OCC2CC2)CCC1
InChIInChI=1S/C14H18BrNO/c15-12-4-1-3-11(14(16)7-2-8-14)13(12)17-9-10-5-6-10/h1,3-4,10H,2,5-9,16H2
InChIKeyYWVIKAYTPCHRQA-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.58
Rot. Bonds4

About 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine

1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine (PubChem CID 117477319) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
PubChem CID117477319
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
SMILESNC1(c2cccc(Br)c2OCC2CC2)CCC1
InChIInChI=1S/C14H18BrNO/c15-12-4-1-3-11(14(16)7-2-8-14)13(12)17-9-10-5-6-10/h1,3-4,10H,2,5-9,16H2
InChIKeyYWVIKAYTPCHRQA-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine (CID 117477319) is 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine is NC1(c2cccc(Br)c2OCC2CC2)CCC1.
What is the InChIKey of 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is YWVIKAYTPCHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-4-1-3-11(14(16)7-2-8-14)13(12)17-9-10-5-6-10/h1,3-4,10H,2,5-9,16H2.
What are the key properties of 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 296.21 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117477319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).