1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine

C14H20BrN — CID 64513879

IUPAC1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2ccccc2Br)C1
InChIInChI=1S/C14H20BrN/c1-2-11-7-8-14(16,9-11)10-12-5-3-4-6-13(12)15/h3-6,11H,2,7-10,16H2,1H3
InChIKeyKOPCNDFVDYHSDA-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine

1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 64513879) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID64513879
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2ccccc2Br)C1
InChIInChI=1S/C14H20BrN/c1-2-11-7-8-14(16,9-11)10-12-5-3-4-6-13(12)15/h3-6,11H,2,7-10,16H2,1H3
InChIKeyKOPCNDFVDYHSDA-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine (CID 64513879) is 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(N)(Cc2ccccc2Br)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is KOPCNDFVDYHSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-11-7-8-14(16,9-11)10-12-5-3-4-6-13(12)15/h3-6,11H,2,7-10,16H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine?
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64513879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).